2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

C14H23ClN2 — CID 61413520

IUPAC2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-4-14(5-2,11-16)17(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyJTGNPQAMGQFQLU-UHFFFAOYSA-N
MW254.81 g/mol
LogP3.29
Rot. Bonds6

About 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 61413520) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID61413520
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-4-14(5-2,11-16)17(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyJTGNPQAMGQFQLU-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 ≤ 500254.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62010595
1-N-[(3-chlorophenyl)methyl]-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79812657
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 63945546
2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 28798833
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (CID 61413520) is 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is JTGNPQAMGQFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-14(5-2,11-16)17(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 254.81 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 2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 61413520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).