1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine

C14H23ClN2 — CID 55098697

IUPAC1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-4-9-17(3)10-8-14(16-2)12-6-5-7-13(15)11-12/h5-7,11,14,16H,4,8-10H2,1-3H3
InChIKeyBVMUUNMKPQADIP-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.33
Rot. Bonds7

About 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine

1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 55098697) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID55098697
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-4-9-17(3)10-8-14(16-2)12-6-5-7-13(15)11-12/h5-7,11,14,16H,4,8-10H2,1-3H3
InChIKeyBVMUUNMKPQADIP-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114953529
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
CID 63494994
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine (CID 55098697) is 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine is CCCN(C)CCC(NC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is BVMUUNMKPQADIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-9-17(3)10-8-14(16-2)12-6-5-7-13(15)11-12/h5-7,11,14,16H,4,8-10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine?
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55098697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).