1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H25FN2 — CID 115967895

IUPAC1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CNCC1(N(C)C)CCCC1
InChIInChI=1S/C16H25FN2/c1-13-6-7-15(17)10-14(13)11-18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyKEDKDNGCAABJPD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 115967895) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID115967895
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CNCC1(N(C)C)CCCC1
InChIInChI=1S/C16H25FN2/c1-13-6-7-15(17)10-14(13)11-18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyKEDKDNGCAABJPD-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102615902
1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416512
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115968246
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
CID 83117063
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 115967895) is 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is Cc1ccc(F)cc1CNCC1(N(C)C)CCCC1.
What is the InChIKey of 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is KEDKDNGCAABJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-6-7-15(17)10-14(13)11-18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115967895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).