(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine

C16H25NO — CID 58651111

IUPAC(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)17-15-10-6-7-11-16(15)18-12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3/t15?,16-/m0/s1
InChIKeyULFFFQNNTQZBSK-LYKKTTPLSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds5

About (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine

(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine (PubChem CID 58651111) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
PubChem CID58651111
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)17-15-10-6-7-11-16(15)18-12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3/t15?,16-/m0/s1
InChIKeyULFFFQNNTQZBSK-LYKKTTPLSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
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
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
CID 101365257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine (CID 58651111) is (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is ULFFFQNNTQZBSK-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)17-15-10-6-7-11-16(15)18-12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3/t15?,16-/m0/s1.
What are the key properties of (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine?
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 58651111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).