1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine

C17H19BrClNO — CID 63421165

IUPAC1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClNO/c1-2-16(20)10-13-9-14(18)5-8-17(13)21-11-12-3-6-15(19)7-4-12/h3-9,16H,2,10-11,20H2,1H3
InChIKeyPVZVOTBRZNFFCR-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.96
Rot. Bonds6

About 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine

1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine (PubChem CID 63421165) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
PubChem CID63421165
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClNO/c1-2-16(20)10-13-9-14(18)5-8-17(13)21-11-12-3-6-15(19)7-4-12/h3-9,16H,2,10-11,20H2,1H3
InChIKeyPVZVOTBRZNFFCR-UHFFFAOYSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54928874
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
1-[5-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]butan-2-amine
CID 107051843
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-(5-bromo-2-pent-3-ynoxyphenyl)butan-2-amine
CID 104807733

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine (CID 63421165) is 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine?
The InChIKey is PVZVOTBRZNFFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-16(20)10-13-9-14(18)5-8-17(13)21-11-12-3-6-15(19)7-4-12/h3-9,16H,2,10-11,20H2,1H3.
What are the key properties of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine?
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 63421165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).