[4-[(cyclopropylmethylamino)methyl]phenyl]methanol

C12H17NO — CID 83962663

IUPAC[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCC2CC2)cc1
InChIInChI=1S/C12H17NO/c14-9-12-5-3-11(4-6-12)8-13-7-10-1-2-10/h3-6,10,13-14H,1-2,7-9H2
InChIKeyDTVLFJSDOSPERI-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.68
Rot. Bonds5

About [4-[(cyclopropylmethylamino)methyl]phenyl]methanol

[4-[(cyclopropylmethylamino)methyl]phenyl]methanol (PubChem CID 83962663) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [4-[(cyclopropylmethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
PubChem CID83962663
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCC2CC2)cc1
InChIInChI=1S/C12H17NO/c14-9-12-5-3-11(4-6-12)8-13-7-10-1-2-10/h3-6,10,13-14H,1-2,7-9H2
InChIKeyDTVLFJSDOSPERI-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123141
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309

Frequently Asked Questions

What is the IUPAC name of [4-[(cyclopropylmethylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(cyclopropylmethylamino)methyl]phenyl]methanol (CID 83962663) is [4-[(cyclopropylmethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(cyclopropylmethylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(cyclopropylmethylamino)methyl]phenyl]methanol is OCc1ccc(CNCC2CC2)cc1.
What is the InChIKey of [4-[(cyclopropylmethylamino)methyl]phenyl]methanol?
The InChIKey is DTVLFJSDOSPERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-9-12-5-3-11(4-6-12)8-13-7-10-1-2-10/h3-6,10,13-14H,1-2,7-9H2.
What are the key properties of [4-[(cyclopropylmethylamino)methyl]phenyl]methanol?
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclopropylmethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 83962663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).