N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine

C20H23N — CID 170865143

IUPACN,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
SMILESCc1c2ccccc2c(CCCN(C)C)c2ccccc12
InChIInChI=1S/C20H23N/c1-15-16-9-4-6-11-18(16)20(13-8-14-21(2)3)19-12-7-5-10-17(15)19/h4-7,9-12H,8,13-14H2,1-3H3
InChIKeyMZJVKLYZTDJCFC-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.80
Rot. Bonds4

About N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine

N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine (PubChem CID 170865143) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
PubChem CID170865143
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
SMILESCc1c2ccccc2c(CCCN(C)C)c2ccccc12
InChIInChI=1S/C20H23N/c1-15-16-9-4-6-11-18(16)20(13-8-14-21(2)3)19-12-7-5-10-17(15)19/h4-7,9-12H,8,13-14H2,1-3H3
InChIKeyMZJVKLYZTDJCFC-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-butyl-10-methylanthracene
CID 22754688
2-[10-[3-(dimethylamino)propyl]anthracen-9-yl]ethyl acetate
CID 1201739
[3-(10-Methylanthracen-9-YL)propyl]silane
CID 78060770
9-(2-fluoroethyl)-10-methylanthracene
CID 13283739
ethane;9-methyl-10-propylanthracene
CID 144649779
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 170865366
N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 990837
3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866943
9,10-dibutylanthracene
CID 605822
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620
N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
CID 170865144

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine (CID 170865143) is N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine is Cc1c2ccccc2c(CCCN(C)C)c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine?
The InChIKey is MZJVKLYZTDJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-15-16-9-4-6-11-18(16)20(13-8-14-21(2)3)19-12-7-5-10-17(15)19/h4-7,9-12H,8,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine?
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine is sourced from PubChem (CID 170865143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).