[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol

C12H16FNO — CID 60984491

IUPAC[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
SMILESCN(CC1CC1)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO/c1-14(7-9-2-3-9)12-5-4-10(8-15)6-11(12)13/h4-6,9,15H,2-3,7-8H2,1H3
InChIKeyGZVBBCCJSZYANH-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.16
Rot. Bonds4

About [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol

[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol (PubChem CID 60984491) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
PubChem CID60984491
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
SMILESCN(CC1CC1)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO/c1-14(7-9-2-3-9)12-5-4-10(8-15)6-11(12)13/h4-6,9,15H,2-3,7-8H2,1H3
InChIKeyGZVBBCCJSZYANH-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
[4-[cyclopropylmethyl(methyl)amino]-3-nitrophenyl]methanol
CID 54884212
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090
[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
CID 63077755
N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline
CID 58437592
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol?
The IUPAC name of [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol (CID 60984491) is [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol is CN(CC1CC1)c1ccc(CO)cc1F.
What is the InChIKey of [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol?
The InChIKey is GZVBBCCJSZYANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14(7-9-2-3-9)12-5-4-10(8-15)6-11(12)13/h4-6,9,15H,2-3,7-8H2,1H3.
What are the key properties of [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol?
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol has a molecular weight of 209.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol is sourced from PubChem (CID 60984491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).