trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine

C16H25N — CID 159407891

IUPACtrans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
SMILESCC(C)(C)N[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C16H25N/c1-16(2,3)17-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10,14-15,17H,7-8,11-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyUVMSGMVSPSVPCU-LSDHHAIUSA-N
MW231.38 g/mol
LogP4.10
Rot. Bonds2

About trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine

trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine (PubChem CID 159407891) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
PubChem CID159407891
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nametrans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
SMILESCC(C)(C)N[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C16H25N/c1-16(2,3)17-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10,14-15,17H,7-8,11-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyUVMSGMVSPSVPCU-LSDHHAIUSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
CID 102179465
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
N-(2,3-dimethylcyclopentyl)-2-phenylcyclohexan-1-amine
CID 64909961
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
N-but-3-en-2-yl-2-phenylcyclohexan-1-amine
CID 115908185
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine (CID 159407891) is trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine is CC(C)(C)N[C@@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine?
The InChIKey is UVMSGMVSPSVPCU-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)17-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10,14-15,17H,7-8,11-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine?
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 159407891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).