4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine

C17H29ClN2 — CID 79093417

IUPAC4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2/c1-4-12-19-17(11-13-20(5-2)6-3)14-15-7-9-16(18)10-8-15/h7-10,17,19H,4-6,11-14H2,1-3H3
InChIKeyRCRGPOMARCWZIJ-UHFFFAOYSA-N
MW296.89 g/mol
LogP3.98
Rot. Bonds10

About 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine

4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine (PubChem CID 79093417) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
PubChem CID79093417
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2/c1-4-12-19-17(11-13-20(5-2)6-3)14-15-7-9-16(18)10-8-15/h7-10,17,19H,4-6,11-14H2,1-3H3
InChIKeyRCRGPOMARCWZIJ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093811
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine (CID 79093417) is 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(CC)CC)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is RCRGPOMARCWZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-4-12-19-17(11-13-20(5-2)6-3)14-15-7-9-16(18)10-8-15/h7-10,17,19H,4-6,11-14H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 296.89 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79093417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).