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

C18H29ClN2 — CID 63495538

IUPAC1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-20-18(15-6-5-7-16(19)12-15)10-11-21(13-14(2)3)17-8-9-17/h5-7,12,14,17-18,20H,4,8-11,13H2,1-3H3
InChIKeyMEZDYNVRXKDJFQ-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds9

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

1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63495538) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63495538
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-20-18(15-6-5-7-16(19)12-15)10-11-21(13-14(2)3)17-8-9-17/h5-7,12,14,17-18,20H,4,8-11,13H2,1-3H3
InChIKeyMEZDYNVRXKDJFQ-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'-propylpropane-1,3-diamine
CID 62628710
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495351
1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493312
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63495538) is 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCNC(CCN(CC(C)C)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is MEZDYNVRXKDJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-20-18(15-6-5-7-16(19)12-15)10-11-21(13-14(2)3)17-8-9-17/h5-7,12,14,17-18,20H,4,8-11,13H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(3-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-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63495538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).