1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine

C16H25ClN2 — CID 55022362

IUPAC1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(C)C1CCCC1
InChIInChI=1S/C16H25ClN2/c1-3-15(18)16(13-10-6-7-11-14(13)17)19(2)12-8-4-5-9-12/h6-7,10-12,15-16H,3-5,8-9,18H2,1-2H3
InChIKeyRRXASLYGNPPWRI-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine

1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine (PubChem CID 55022362) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
PubChem CID55022362
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(C)C1CCCC1
InChIInChI=1S/C16H25ClN2/c1-3-15(18)16(13-10-6-7-11-14(13)17)19(2)12-8-4-5-9-12/h6-7,10-12,15-16H,3-5,8-9,18H2,1-2H3
InChIKeyRRXASLYGNPPWRI-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
CID 63954907
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
1-(4-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55015474
1-[[2-amino-1-(2-chlorophenyl)butyl]-methylamino]-2-methylpropan-2-ol
CID 79384483
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052
1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022414
1-(3-chlorophenyl)-1-N-methyl-1-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 63404072
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine (CID 55022362) is 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine is CCC(N)C(c1ccccc1Cl)N(C)C1CCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine?
The InChIKey is RRXASLYGNPPWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-15(18)16(13-10-6-7-11-14(13)17)19(2)12-8-4-5-9-12/h6-7,10-12,15-16H,3-5,8-9,18H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine?
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 55022362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).