1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

C18H29BrN2 — CID 63493312

IUPAC1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H29BrN2/c1-4-20-18(15-5-7-16(19)8-6-15)11-12-21(13-14(2)3)17-9-10-17/h5-8,14,17-18,20H,4,9-13H2,1-3H3
InChIKeyQDLLPABVOMSLOM-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.61
Rot. Bonds9

About 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63493312) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63493312
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H29BrN2/c1-4-20-18(15-5-7-16(19)8-6-15)11-12-21(13-14(2)3)17-9-10-17/h5-8,14,17-18,20H,4,9-13H2,1-3H3
InChIKeyQDLLPABVOMSLOM-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495351
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 79481550
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromophenyl)-N'-methyl-N-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62619770

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63493312) is 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCNC(CCN(CC(C)C)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is QDLLPABVOMSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-20-18(15-5-7-16(19)8-6-15)11-12-21(13-14(2)3)17-9-10-17/h5-8,14,17-18,20H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 353.35 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63493312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).