1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C16H27ClN2 — CID 102912678

IUPAC1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCC(C)C(CNC(CN)c1ccccc1Cl)C(C)C
InChIInChI=1S/C16H27ClN2/c1-11(2)14(12(3)4)10-19-16(9-18)13-7-5-6-8-15(13)17/h5-8,11-12,14,16,19H,9-10,18H2,1-4H3
InChIKeyYWNXFGOUKILGFC-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.86
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 102912678) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID102912678
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCC(C)C(CNC(CN)c1ccccc1Cl)C(C)C
InChIInChI=1S/C16H27ClN2/c1-11(2)14(12(3)4)10-19-16(9-18)13-7-5-6-8-15(13)17/h5-8,11-12,14,16,19H,9-10,18H2,1-4H3
InChIKeyYWNXFGOUKILGFC-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
CID 115406269
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-(3-chloro-4-methylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106817559
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912745
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 102912678) is 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is CC(C)C(CNC(CN)c1ccccc1Cl)C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is YWNXFGOUKILGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-11(2)14(12(3)4)10-19-16(9-18)13-7-5-6-8-15(13)17/h5-8,11-12,14,16,19H,9-10,18H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 102912678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).