2-[(benzylamino)methyl]cycloheptan-1-ol

C15H23NO — CID 13427953

IUPAC2-[(benzylamino)methyl]cycloheptan-1-ol
SMILESOC1CCCCCC1CNCc1ccccc1
InChIInChI=1S/C15H23NO/c17-15-10-6-2-5-9-14(15)12-16-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-17H,2,5-6,9-12H2
InChIKeyMZZVUVBTOHLLKV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.72
Rot. Bonds4

About 2-[(benzylamino)methyl]cycloheptan-1-ol

2-[(benzylamino)methyl]cycloheptan-1-ol (PubChem CID 13427953) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(benzylamino)methyl]cycloheptan-1-ol
PubChem CID13427953
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(benzylamino)methyl]cycloheptan-1-ol
SMILESOC1CCCCCC1CNCc1ccccc1
InChIInChI=1S/C15H23NO/c17-15-10-6-2-5-9-14(15)12-16-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-17H,2,5-6,9-12H2
InChIKeyMZZVUVBTOHLLKV-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(benzylamino)methyl]cycloheptan-1-ol (CID 13427953) is 2-[(benzylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(benzylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(benzylamino)methyl]cycloheptan-1-ol is OC1CCCCCC1CNCc1ccccc1.
What is the InChIKey of 2-[(benzylamino)methyl]cycloheptan-1-ol?
The InChIKey is MZZVUVBTOHLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15-10-6-2-5-9-14(15)12-16-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-17H,2,5-6,9-12H2.
What are the key properties of 2-[(benzylamino)methyl]cycloheptan-1-ol?
2-[(benzylamino)methyl]cycloheptan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 13427953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).