[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine

C17H27FN2 — CID 64763360

IUPAC[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
SMILESCC(C)C1CCCN(Cc2cc(F)ccc2CN)CC1
InChIInChI=1S/C17H27FN2/c1-13(2)14-4-3-8-20(9-7-14)12-16-10-17(18)6-5-15(16)11-19/h5-6,10,13-14H,3-4,7-9,11-12,19H2,1-2H3
InChIKeyGFSLCGHYWAJINA-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.54
Rot. Bonds4

About [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine

[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine (PubChem CID 64763360) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
PubChem CID64763360
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
SMILESCC(C)C1CCCN(Cc2cc(F)ccc2CN)CC1
InChIInChI=1S/C17H27FN2/c1-13(2)14-4-3-8-20(9-7-14)12-16-10-17(18)6-5-15(16)11-19/h5-6,10,13-14H,3-4,7-9,11-12,19H2,1-2H3
InChIKeyGFSLCGHYWAJINA-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine (CID 64763360) is [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine is CC(C)C1CCCN(Cc2cc(F)ccc2CN)CC1.
What is the InChIKey of [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine?
The InChIKey is GFSLCGHYWAJINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)14-4-3-8-20(9-7-14)12-16-10-17(18)6-5-15(16)11-19/h5-6,10,13-14H,3-4,7-9,11-12,19H2,1-2H3.
What are the key properties of [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine?
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine has a molecular weight of 278.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 64763360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).