N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine

C21H23N — CID 67203789

IUPACN,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCN(C)CC(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N/c1-22(2)16-21(14-17-8-4-3-5-9-17)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15,21H,14,16H2,1-2H3
InChIKeyCHQHUGOLBOTCRQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.73
Rot. Bonds5

About N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine

N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (PubChem CID 67203789) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
PubChem CID67203789
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC NameN,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCN(C)CC(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N/c1-22(2)16-21(14-17-8-4-3-5-9-17)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15,21H,14,16H2,1-2H3
InChIKeyCHQHUGOLBOTCRQ-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
CID 68735780
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
CID 19077007
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 18767247
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 139566458
dimethylamino(naphthalen-2-yl)methanethiol
CID 116909499
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
2-(dimethylamino)-2-naphthalen-2-ylacetaldehyde
CID 116908733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The IUPAC name of N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (CID 67203789) is N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is CN(C)CC(Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The InChIKey is CHQHUGOLBOTCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-22(2)16-21(14-17-8-4-3-5-9-17)20-13-12-18-10-6-7-11-19(18)15-20/h3-13,15,21H,14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is sourced from PubChem (CID 67203789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).