N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine

C15H22F2N2 — CID 63318484

IUPACN'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc(F)c1F)C1CCCC1
InChIInChI=1S/C15H22F2N2/c1-19(13-6-2-3-7-13)10-9-18-11-12-5-4-8-14(16)15(12)17/h4-5,8,13,18H,2-3,6-7,9-11H2,1H3
InChIKeyZPCRURBGEAZXEX-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds6

About N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 63318484) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID63318484
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc(F)c1F)C1CCCC1
InChIInChI=1S/C15H22F2N2/c1-19(13-6-2-3-7-13)10-9-18-11-12-5-4-8-14(16)15(12)17/h4-5,8,13,18H,2-3,6-7,9-11H2,1H3
InChIKeyZPCRURBGEAZXEX-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 63318484) is N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNCc1cccc(F)c1F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is ZPCRURBGEAZXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(13-6-2-3-7-13)10-9-18-11-12-5-4-8-14(16)15(12)17/h4-5,8,13,18H,2-3,6-7,9-11H2,1H3.
What are the key properties of N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63318484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).