N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C19H31NO — CID 103961016

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOc1ccc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-14(15-7-9-17(21-6)10-8-15)20-16-11-18(2,3)13-19(4,5)12-16/h7-10,14,16,20H,11-13H2,1-6H3/t14-/m0/s1
InChIKeyBPAZSXKUFLGCHX-AWEZNQCLSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103961016) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103961016
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOc1ccc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31NO/c1-14(15-7-9-17(21-6)10-8-15)20-16-11-18(2,3)13-19(4,5)12-16/h7-10,14,16,20H,11-13H2,1-6H3/t14-/m0/s1
InChIKeyBPAZSXKUFLGCHX-AWEZNQCLSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103961016) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is COc1ccc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is BPAZSXKUFLGCHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(15-7-9-17(21-6)10-8-15)20-16-11-18(2,3)13-19(4,5)12-16/h7-10,14,16,20H,11-13H2,1-6H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103961016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).