N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine

C16H27ClN2 — CID 60710064

IUPACN-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-4-6-10-19(13(3)5-2)16(12-18)14-8-7-9-15(17)11-14/h7-9,11,13,16H,4-6,10,12,18H2,1-3H3
InChIKeyMLAMBHIIYCOCMX-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.24
Rot. Bonds8

About N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine

N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 60710064) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
PubChem CID60710064
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-4-6-10-19(13(3)5-2)16(12-18)14-8-7-9-15(17)11-14/h7-9,11,13,16H,4-6,10,12,18H2,1-3H3
InChIKeyMLAMBHIIYCOCMX-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3-bromo-4-fluorophenyl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 63465037
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
CID 55019550
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
CID 55004964
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
1-(3-chloro-5-fluorophenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 114453335
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
N-butan-2-yl-N-butyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 54940568
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine (CID 60710064) is N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine is CCCCN(C(C)CC)C(CN)c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is MLAMBHIIYCOCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-6-10-19(13(3)5-2)16(12-18)14-8-7-9-15(17)11-14/h7-9,11,13,16H,4-6,10,12,18H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine?
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 60710064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).