4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline

C16H25BrN2 — CID 82968938

IUPAC4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)CC1CCCC1
InChIInChI=1S/C16H25BrN2/c1-12(18-2)15-10-14(17)8-9-16(15)19(3)11-13-6-4-5-7-13/h8-10,12-13,18H,4-7,11H2,1-3H3
InChIKeyBQHDCQBYOSNWSC-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.36
Rot. Bonds5

About 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline

4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline (PubChem CID 82968938) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
PubChem CID82968938
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)CC1CCCC1
InChIInChI=1S/C16H25BrN2/c1-12(18-2)15-10-14(17)8-9-16(15)19(3)11-13-6-4-5-7-13/h8-10,12-13,18H,4-7,11H2,1-3H3
InChIKeyBQHDCQBYOSNWSC-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)aniline
CID 82968663
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 82968195
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline (CID 82968938) is 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline is CNC(C)c1cc(Br)ccc1N(C)CC1CCCC1.
What is the InChIKey of 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
The InChIKey is BQHDCQBYOSNWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(18-2)15-10-14(17)8-9-16(15)19(3)11-13-6-4-5-7-13/h8-10,12-13,18H,4-7,11H2,1-3H3.
What are the key properties of 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline?
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline has a molecular weight of 325.29 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 82968938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).