1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine

C17H29ClN2 — CID 63493353

IUPAC1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CCC(N)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H29ClN2/c1-4-5-6-12-20(14(2)3)13-11-17(19)15-7-9-16(18)10-8-15/h7-10,14,17H,4-6,11-13,19H2,1-3H3
InChIKeyHDQVMAFVORKDKN-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.63
Rot. Bonds9

About 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 63493353) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID63493353
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CCC(N)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H29ClN2/c1-4-5-6-12-20(14(2)3)13-11-17(19)15-7-9-16(18)10-8-15/h7-10,14,17H,4-6,11-13,19H2,1-3H3
InChIKeyHDQVMAFVORKDKN-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
(1R,2R)-1-(4-chlorophenyl)-2-(dioctylamino)propan-1-ol
CID 98129728
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine (CID 63493353) is 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine is CCCCCN(CCC(N)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is HDQVMAFVORKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-4-5-6-12-20(14(2)3)13-11-17(19)15-7-9-16(18)10-8-15/h7-10,14,17H,4-6,11-13,19H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63493353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).