1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

C18H29ClN2 — CID 63495351

IUPAC1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)C1CC1)c1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-4-20-18(16-7-5-6-8-17(16)19)11-12-21(13-14(2)3)15-9-10-15/h5-8,14-15,18,20H,4,9-13H2,1-3H3
InChIKeyXRJQNJZVIRMBRN-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds9

About 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63495351) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63495351
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)C1CC1)c1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-4-20-18(16-7-5-6-8-17(16)19)11-12-21(13-14(2)3)15-9-10-15/h5-8,14-15,18,20H,4,9-13H2,1-3H3
InChIKeyXRJQNJZVIRMBRN-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493312
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664674
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
CID 64520874
1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
CID 83220497

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63495351) is 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCNC(CCN(CC(C)C)C1CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is XRJQNJZVIRMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-20-18(16-7-5-6-8-17(16)19)11-12-21(13-14(2)3)15-9-10-15/h5-8,14-15,18,20H,4,9-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63495351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).