[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine

C14H22FN3 — CID 107113059

IUPAC[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
SMILESCN1CCCN(Cc2cccc(CN)c2F)CC1
InChIInChI=1S/C14H22FN3/c1-17-6-3-7-18(9-8-17)11-13-5-2-4-12(10-16)14(13)15/h2,4-5H,3,6-11,16H2,1H3
InChIKeyFNZCNRKNAAEZCD-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.42
Rot. Bonds3

About [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine

[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (PubChem CID 107113059) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
PubChem CID107113059
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
SMILESCN1CCCN(Cc2cccc(CN)c2F)CC1
InChIInChI=1S/C14H22FN3/c1-17-6-3-7-18(9-8-17)11-13-5-2-4-12(10-16)14(13)15/h2,4-5H,3,6-11,16H2,1H3
InChIKeyFNZCNRKNAAEZCD-UHFFFAOYSA-N
XLogP1.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 107113381
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113388
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344
2-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitroaniline
CID 107350751
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
2-[4-[(3-amino-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107347588
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113021
[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242779

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (CID 107113059) is [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine is CN1CCCN(Cc2cccc(CN)c2F)CC1.
What is the InChIKey of [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
The InChIKey is FNZCNRKNAAEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17-6-3-7-18(9-8-17)11-13-5-2-4-12(10-16)14(13)15/h2,4-5H,3,6-11,16H2,1H3.
What are the key properties of [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107113059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).