1-(4-bromophenyl)-3-methoxypentan-2-amine

C12H18BrNO — CID 116715134

IUPAC1-(4-bromophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-3-12(15-2)11(14)8-9-4-6-10(13)7-5-9/h4-7,11-12H,3,8,14H2,1-2H3
InChIKeyBKDNFTHUHIPHDX-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-bromophenyl)-3-methoxypentan-2-amine

1-(4-bromophenyl)-3-methoxypentan-2-amine (PubChem CID 116715134) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methoxypentan-2-amine
PubChem CID116715134
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-3-12(15-2)11(14)8-9-4-6-10(13)7-5-9/h4-7,11-12H,3,8,14H2,1-2H3
InChIKeyBKDNFTHUHIPHDX-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
CID 116715292
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
CID 116715037
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
diethyl 2-[(4-bromophenyl)methyl]propanedioate
CID 10860456
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-methoxypentan-2-amine (CID 116715134) is 1-(4-bromophenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-methoxypentan-2-amine?
The InChIKey is BKDNFTHUHIPHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-12(15-2)11(14)8-9-4-6-10(13)7-5-9/h4-7,11-12H,3,8,14H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-methoxypentan-2-amine?
1-(4-bromophenyl)-3-methoxypentan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).