N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine

C18H25NO — CID 121353391

IUPACN,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
SMILESCC(C)c1ccc2ccc(OCCCN(C)C)cc2c1
InChIInChI=1S/C18H25NO/c1-14(2)16-7-6-15-8-9-18(13-17(15)12-16)20-11-5-10-19(3)4/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyNDPFXJMYQJLLSN-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.29
Rot. Bonds6

About N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine

N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine (PubChem CID 121353391) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
PubChem CID121353391
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
SMILESCC(C)c1ccc2ccc(OCCCN(C)C)cc2c1
InChIInChI=1S/C18H25NO/c1-14(2)16-7-6-15-8-9-18(13-17(15)12-16)20-11-5-10-19(3)4/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyNDPFXJMYQJLLSN-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene
CID 90144659
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 176928161
2,9-di(propan-2-yl)pentacene
CID 153380534
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene
CID 143968515
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
3-ethoxy-2,6-di(propan-2-yl)naphthalene
CID 176586684
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-[4-bromo-3-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 114524882

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine (CID 121353391) is N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine is CC(C)c1ccc2ccc(OCCCN(C)C)cc2c1.
What is the InChIKey of N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine?
The InChIKey is NDPFXJMYQJLLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(2)16-7-6-15-8-9-18(13-17(15)12-16)20-11-5-10-19(3)4/h6-9,12-14H,5,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine?
N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine is sourced from PubChem (CID 121353391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).