trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine

C15H23NO — CID 129030197

IUPACtrans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
SMILESCCN[C@@H]1CCCC[C@H]1OCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3/t14-,15-/m1/s1
InChIKeySPPFQYNMKNYURO-HUUCEWRRSA-N
MW233.36 g/mol
LogP3.12
Rot. Bonds5

About trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine

trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine (PubChem CID 129030197) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
PubChem CID129030197
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nametrans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
SMILESCCN[C@@H]1CCCC[C@H]1OCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3/t14-,15-/m1/s1
InChIKeySPPFQYNMKNYURO-HUUCEWRRSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
CID 104676124
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
CID 124857330
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine (CID 129030197) is trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine is CCN[C@@H]1CCCC[C@H]1OCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine?
The InChIKey is SPPFQYNMKNYURO-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine?
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine is sourced from PubChem (CID 129030197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).