1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine

C16H25ClN2 — CID 63954907

IUPAC1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(CC)CC1CC1
InChIInChI=1S/C16H25ClN2/c1-3-15(18)16(13-7-5-6-8-14(13)17)19(4-2)11-12-9-10-12/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3
InChIKeyZPZWFBGCPRYBQM-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds7

About 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine

1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine (PubChem CID 63954907) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
PubChem CID63954907
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(CC)CC1CC1
InChIInChI=1S/C16H25ClN2/c1-3-15(18)16(13-7-5-6-8-14(13)17)19(4-2)11-12-9-10-12/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3
InChIKeyZPZWFBGCPRYBQM-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
1-N-(cyclopropylmethyl)-1-N-methyl-1-(2-methylphenyl)butane-1,2-diamine
CID 55017993
1-(4-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-methylbutane-1,2-diamine
CID 55015238
1-[[2-amino-1-(2-chlorophenyl)butyl]-methylamino]-2-methylpropan-2-ol
CID 79384483
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine (CID 63954907) is 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine is CCC(N)C(c1ccccc1Cl)N(CC)CC1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine?
The InChIKey is ZPZWFBGCPRYBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-15(18)16(13-7-5-6-8-14(13)17)19(4-2)11-12-9-10-12/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine?
1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine is sourced from PubChem (CID 63954907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).