3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline

C13H19BrN2 — CID 102814030

IUPAC3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
SMILESCCN(CC1CC1)c1cc(Br)cc(CN)c1
InChIInChI=1S/C13H19BrN2/c1-2-16(9-10-3-4-10)13-6-11(8-15)5-12(14)7-13/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyDQLWSCGPQDFKRN-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.14
Rot. Bonds5

About 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline

3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline (PubChem CID 102814030) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
PubChem CID102814030
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
SMILESCCN(CC1CC1)c1cc(Br)cc(CN)c1
InChIInChI=1S/C13H19BrN2/c1-2-16(9-10-3-4-10)13-6-11(8-15)5-12(14)7-13/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyDQLWSCGPQDFKRN-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
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3-[bis(cyclopropylmethyl)amino]-5-bromobenzonitrile
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CID 102859668
2-[3-(aminomethyl)-5-bromo-N-methylanilino]-N,N-dimethylacetamide
CID 102813441
3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
CID 107397082
3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
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4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 114064874
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline (CID 102814030) is 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline is CCN(CC1CC1)c1cc(Br)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
The InChIKey is DQLWSCGPQDFKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-16(9-10-3-4-10)13-6-11(8-15)5-12(14)7-13/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline has a molecular weight of 283.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline is sourced from PubChem (CID 102814030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).