1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine

C14H21F2N3 — CID 83116976

IUPAC1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
SMILESCN(C)C1(CNc2cc(F)cc(F)c2N)CCCC1
InChIInChI=1S/C14H21F2N3/c1-19(2)14(5-3-4-6-14)9-18-12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9,17H2,1-2H3
InChIKeyOEGYAXKUCIRCBU-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.83
Rot. Bonds4

About 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine

1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine (PubChem CID 83116976) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
PubChem CID83116976
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
SMILESCN(C)C1(CNc2cc(F)cc(F)c2N)CCCC1
InChIInChI=1S/C14H21F2N3/c1-19(2)14(5-3-4-6-14)9-18-12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9,17H2,1-2H3
InChIKeyOEGYAXKUCIRCBU-UHFFFAOYSA-N
XLogP2.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 107163064
2-amino-5-[[1-(dimethylamino)cyclopentyl]methylamino]-4-fluorobenzoic acid
CID 83112062
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676032
3,5-difluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
CID 115506691
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenecarbothioamide
CID 83121698
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
CID 83114460
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
CID 105419130
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
1-N-tert-butyl-3,5-difluorobenzene-1,2-diamine
CID 115506498
N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline
CID 83113024
1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141719
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246

Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine (CID 83116976) is 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine is CN(C)C1(CNc2cc(F)cc(F)c2N)CCCC1.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine?
The InChIKey is OEGYAXKUCIRCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-19(2)14(5-3-4-6-14)9-18-12-8-10(15)7-11(16)13(12)17/h7-8,18H,3-6,9,17H2,1-2H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine?
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine has a molecular weight of 269.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 83116976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).