2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol

C14H21NO — CID 81386738

IUPAC2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
SMILESC[C@H](NCc1ccccc1O)C1CCCC1
InChIInChI=1S/C14H21NO/c1-11(12-6-2-3-7-12)15-10-13-8-4-5-9-14(13)16/h4-5,8-9,11-12,15-16H,2-3,6-7,10H2,1H3/t11-/m0/s1
InChIKeyROGRSYQNURGEMU-NSHDSACASA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds4

About 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol

2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol (PubChem CID 81386738) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
PubChem CID81386738
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
SMILESC[C@H](NCc1ccccc1O)C1CCCC1
InChIInChI=1S/C14H21NO/c1-11(12-6-2-3-7-12)15-10-13-8-4-5-9-14(13)16/h4-5,8-9,11-12,15-16H,2-3,6-7,10H2,1H3/t11-/m0/s1
InChIKeyROGRSYQNURGEMU-NSHDSACASA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730932
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
4-chloro-2-[[[(1S)-1-cycloheptylethyl]amino]methyl]phenol
CID 81389866
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol?
The IUPAC name of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol (CID 81386738) is 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol is C[C@H](NCc1ccccc1O)C1CCCC1.
What is the InChIKey of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol?
The InChIKey is ROGRSYQNURGEMU-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO/c1-11(12-6-2-3-7-12)15-10-13-8-4-5-9-14(13)16/h4-5,8-9,11-12,15-16H,2-3,6-7,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol?
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol is sourced from PubChem (CID 81386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).