trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine

C13H19NO — CID 11908838

IUPACtrans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine
SMILESN[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1
InChIKeyNTHNRYLIXJZHRZ-STQMWFEESA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds3

About trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine

trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine (PubChem CID 11908838) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine
PubChem CID11908838
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nametrans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine
SMILESN[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1
InChIKeyNTHNRYLIXJZHRZ-STQMWFEESA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine (CID 11908838) is trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine is N[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine?
The InChIKey is NTHNRYLIXJZHRZ-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine?
trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenylmethoxycyclohexan-1-amine is sourced from PubChem (CID 11908838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).