4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol

C15H23FN2O — CID 175662545

IUPAC4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCCNCC1
InChIInChI=1S/C15H23FN2O/c1-18(11-13-3-5-14(16)6-4-13)12-15(19)7-2-9-17-10-8-15/h3-6,17,19H,2,7-12H2,1H3
InChIKeyBJVATMQHWVVJCY-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.76
Rot. Bonds4

About 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol

4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol (PubChem CID 175662545) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
PubChem CID175662545
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCCNCC1
InChIInChI=1S/C15H23FN2O/c1-18(11-13-3-5-14(16)6-4-13)12-15(19)7-2-9-17-10-8-15/h3-6,17,19H,2,7-12H2,1H3
InChIKeyBJVATMQHWVVJCY-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
1-ethylsulfonyl-3-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 127248085
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol?
The IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol (CID 175662545) is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol.
What is the SMILES notation for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol?
The canonical SMILES for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol is CN(Cc1ccc(F)cc1)CC1(O)CCCNCC1.
What is the InChIKey of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol?
The InChIKey is BJVATMQHWVVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(11-13-3-5-14(16)6-4-13)12-15(19)7-2-9-17-10-8-15/h3-6,17,19H,2,7-12H2,1H3.
What are the key properties of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol?
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol has a molecular weight of 266.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol is sourced from PubChem (CID 175662545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).