N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine

C25H35NO5 — CID 18348595

IUPACN,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine
SMILESCOc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN(C)C)cc1)C2
InChIInChI=1S/C25H35NO5/c1-26(2)16-17-9-11-19(12-10-17)31-13-7-8-18-14-20-21(15-18)23(28-4)25(30-6)24(29-5)22(20)27-3/h9-12,18H,7-8,13-16H2,1-6H3
InChIKeyMRKDQLHCUKOOOI-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.36
Rot. Bonds11

About N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine

N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine (PubChem CID 18348595) has the molecular formula C25H35NO5 and a molecular weight of 429.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine
PubChem CID18348595
Molecular FormulaC25H35NO5
Molecular Weight429.56 g/mol
Exact Mass429.25
IUPAC NameN,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine
SMILESCOc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN(C)C)cc1)C2
InChIInChI=1S/C25H35NO5/c1-26(2)16-17-9-11-19(12-10-17)31-13-7-8-18-14-20-21(15-18)23(28-4)25(30-6)24(29-5)22(20)27-3/h9-12,18H,7-8,13-16H2,1-6H3
InChIKeyMRKDQLHCUKOOOI-UHFFFAOYSA-N
XLogP4.36
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)butoxy]benzoate
CID 18348588
4-piperidin-1-yl-1-[[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methyl]piperidine;dihydrochloride
CID 18348663
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280482
N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
CID 166529218
N-[3-[4-[(dimethylamino)methyl]phenoxy]propylsulfonyl]benzenesulfonamide
CID 58820983
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine (CID 18348595) is N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine is COc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(CN(C)C)cc1)C2.
What is the InChIKey of N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine?
The InChIKey is MRKDQLHCUKOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5/c1-26(2)16-17-9-11-19(12-10-17)31-13-7-8-18-14-20-21(15-18)23(28-4)25(30-6)24(29-5)22(20)27-3/h9-12,18H,7-8,13-16H2,1-6H3.
What are the key properties of N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine?
N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine has a molecular weight of 429.56 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[3-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 18348595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).