2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine

C18H31ClN2 — CID 63492609

IUPAC2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCC(C)CNCC(C(C)C)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H31ClN2/c1-13(2)11-20-12-18(14(3)4)21(6)15(5)16-7-9-17(19)10-8-16/h7-10,13-15,18,20H,11-12H2,1-6H3
InChIKeyHIPUEIQEBIPCQH-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.60
Rot. Bonds8

About 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 63492609) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID63492609
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCC(C)CNCC(C(C)C)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H31ClN2/c1-13(2)11-20-12-18(14(3)4)21(6)15(5)16-7-9-17(19)10-8-16/h7-10,13-15,18,20H,11-12H2,1-6H3
InChIKeyHIPUEIQEBIPCQH-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62984913
3-N-[1-(4-chlorophenyl)ethyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012189
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63490702
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63501755
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63501756
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83039474
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63490527
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine (CID 63492609) is 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine is CC(C)CNCC(C(C)C)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is HIPUEIQEBIPCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-13(2)11-20-12-18(14(3)4)21(6)15(5)16-7-9-17(19)10-8-16/h7-10,13-15,18,20H,11-12H2,1-6H3.
What are the key properties of 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 310.91 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 63492609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).