(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine

C16H21N — CID 171242641

IUPAC(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc([C@@H](N)C(C)(C)C)c2ccccc12
InChIInChI=1S/C16H21N/c1-11-9-10-14(15(17)16(2,3)4)13-8-6-5-7-12(11)13/h5-10,15H,17H2,1-4H3/t15-/m1/s1
InChIKeyRESSXDDXSNADMG-OAHLLOKOSA-N
MW227.35 g/mol
LogP4.19
Rot. Bonds1

About (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine

(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine (PubChem CID 171242641) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
PubChem CID171242641
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc([C@@H](N)C(C)(C)C)c2ccccc12
InChIInChI=1S/C16H21N/c1-11-9-10-14(15(17)16(2,3)4)13-8-6-5-7-12(11)13/h5-10,15H,17H2,1-4H3/t15-/m1/s1
InChIKeyRESSXDDXSNADMG-OAHLLOKOSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171311782
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
CID 171250653
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171313788
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine (CID 171242641) is (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine is Cc1ccc([C@@H](N)C(C)(C)C)c2ccccc12.
What is the InChIKey of (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The InChIKey is RESSXDDXSNADMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N/c1-11-9-10-14(15(17)16(2,3)4)13-8-6-5-7-12(11)13/h5-10,15H,17H2,1-4H3/t15-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine?
(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 171242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).