1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine

C18H29BrN2 — CID 103503911

IUPAC1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29BrN2/c1-4-17(20)11-15-5-6-16(19)12-18(15)21-9-7-14(8-10-21)13(2)3/h5-6,12-14,17H,4,7-11,20H2,1-3H3
InChIKeyFDTSOLZXTKEGSI-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.60
Rot. Bonds5

About 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine

1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 103503911) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
PubChem CID103503911
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Br)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29BrN2/c1-4-17(20)11-15-5-6-16(19)12-18(15)21-9-7-14(8-10-21)13(2)3/h5-6,12-14,17H,4,7-11,20H2,1-3H3
InChIKeyFDTSOLZXTKEGSI-UHFFFAOYSA-N
XLogP4.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
CID 63785603
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]butan-2-amine
CID 63787411
1-[2-(4-benzylpiperazin-1-yl)-4-bromophenyl]butan-2-amine
CID 113233595
1-[4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]butan-2-amine
CID 107459852
1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63795722
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63794895
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
5-bromo-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417884
1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine (CID 103503911) is 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1ccc(Br)cc1N1CCC(C(C)C)CC1.
What is the InChIKey of 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is FDTSOLZXTKEGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-17(20)11-15-5-6-16(19)12-18(15)21-9-7-14(8-10-21)13(2)3/h5-6,12-14,17H,4,7-11,20H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine?
1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 353.35 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-propan-2-ylpiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 103503911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).