N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

C16H25FN2 — CID 62573436

IUPACN-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CCCC1)Cc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-19(13-15-7-4-8-16(17)11-15)10-9-18-12-14-5-2-3-6-14/h4,7-8,11,14,18H,2-3,5-6,9-10,12-13H2,1H3
InChIKeyATJMOVQQZKWQQD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds7

About N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62573436) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62573436
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CCCC1)Cc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-19(13-15-7-4-8-16(17)11-15)10-9-18-12-14-5-2-3-6-14/h4,7-8,11,14,18H,2-3,5-6,9-10,12-13H2,1H3
InChIKeyATJMOVQQZKWQQD-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
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

N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 62573436) is N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNCC1CCCC1)Cc1cccc(F)c1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is ATJMOVQQZKWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-19(13-15-7-4-8-16(17)11-15)10-9-18-12-14-5-2-3-6-14/h4,7-8,11,14,18H,2-3,5-6,9-10,12-13H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62573436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).