4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline

C18H29BrN2 — CID 82954617

IUPAC4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C18H29BrN2/c1-5-20-14(3)17-12-15(19)9-10-18(17)21(4)16-8-6-7-13(2)11-16/h9-10,12-14,16,20H,5-8,11H2,1-4H3
InChIKeyYUIGNDKDSOAZKS-UHFFFAOYSA-N
MW353.35 g/mol
LogP5.13
Rot. Bonds5

About 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 82954617) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID82954617
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C18H29BrN2/c1-5-20-14(3)17-12-15(19)9-10-18(17)21(4)16-8-6-7-13(2)11-16/h9-10,12-14,16,20H,5-8,11H2,1-4H3
InChIKeyYUIGNDKDSOAZKS-UHFFFAOYSA-N
XLogP5.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
5-bromo-2-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 114895667

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline (CID 82954617) is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline is CCNC(C)c1cc(Br)ccc1N(C)C1CCCC(C)C1.
What is the InChIKey of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is YUIGNDKDSOAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-5-20-14(3)17-12-15(19)9-10-18(17)21(4)16-8-6-7-13(2)11-16/h9-10,12-14,16,20H,5-8,11H2,1-4H3.
What are the key properties of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline?
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 353.35 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 82954617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).