N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine

C17H19BrClNO — CID 114319725

IUPACN-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-12(2)20-10-15-16(19)7-4-8-17(15)21-11-13-5-3-6-14(18)9-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJDFOSTJQOVOTHI-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.18
Rot. Bonds6

About N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine

N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine (PubChem CID 114319725) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
PubChem CID114319725
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-12(2)20-10-15-16(19)7-4-8-17(15)21-11-13-5-3-6-14(18)9-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJDFOSTJQOVOTHI-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 104796439
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
CID 114319001
N-[[2-chloro-6-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 114319708

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine (CID 114319725) is N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1OCc1cccc(Br)c1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
The InChIKey is JDFOSTJQOVOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-12(2)20-10-15-16(19)7-4-8-17(15)21-11-13-5-3-6-14(18)9-13/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 114319725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).