1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine

C14H23ClN2 — CID 61415050

IUPAC1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-4-9-14(2,16)11-17(3)10-12-5-7-13(15)8-6-12/h5-8H,4,9-11,16H2,1-3H3
InChIKeyYHKYCCWTDVUNTC-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.29
Rot. Bonds6

About 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine

1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine (PubChem CID 61415050) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
PubChem CID61415050
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-4-9-14(2,16)11-17(3)10-12-5-7-13(15)8-6-12/h5-8H,4,9-11,16H2,1-3H3
InChIKeyYHKYCCWTDVUNTC-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141
4-[(4-chlorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 66453591
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
CID 62001526
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62260740
1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
CID 60852613
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine (CID 61415050) is 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine is CCCC(C)(N)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine?
The InChIKey is YHKYCCWTDVUNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-9-14(2,16)11-17(3)10-12-5-7-13(15)8-6-12/h5-8H,4,9-11,16H2,1-3H3.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine?
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine is sourced from PubChem (CID 61415050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).