N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine

C16H25N — CID 162654109

IUPACN,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine
SMILESCN(C)CC[C@@H]1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H25N/c1-17(2)12-11-14-7-6-10-16(13-14)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyZYBYYRNPRPPBBV-HOCLYGCPSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds4

About N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine

N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine (PubChem CID 162654109) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine
PubChem CID162654109
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine
SMILESCN(C)CC[C@@H]1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H25N/c1-17(2)12-11-14-7-6-10-16(13-14)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyZYBYYRNPRPPBBV-HOCLYGCPSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(bromomethyl)cyclohexyl]benzene
CID 174846127
N-benzyl-2-[(1S,3S)-3-phenylcyclohexyl]ethanamine
CID 162671258
N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
1-bromo-4-(3-propylcyclohexyl)benzene
CID 141294592
4-chloro-5-methoxy-6-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrimidine
CID 148886768
2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine
CID 62860228
2-(3-phenylcyclobutyl)ethanol
CID 132580222
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
1-chloro-3-(3-pentylcyclohexyl)benzene
CID 141136267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine (CID 162654109) is N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine is CN(C)CC[C@@H]1CCC[C@H](c2ccccc2)C1.
What is the InChIKey of N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine?
The InChIKey is ZYBYYRNPRPPBBV-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H25N/c1-17(2)12-11-14-7-6-10-16(13-14)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine?
N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine is sourced from PubChem (CID 162654109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).