N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine

C16H19BrClNS — CID 107096564

IUPACN-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1C)c1cccc(Cl)c1C
InChIInChI=1S/C16H19BrClNS/c1-4-8-19-16(13-9-15(17)20-11(13)3)12-6-5-7-14(18)10(12)2/h5-7,9,16,19H,4,8H2,1-3H3
InChIKeyKMOMWYYCIGXGMN-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.87
Rot. Bonds5

About N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine

N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 107096564) has the molecular formula C16H19BrClNS and a molecular weight of 372.76 g/mol. Its IUPAC name is N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
PubChem CID107096564
Molecular FormulaC16H19BrClNS
Molecular Weight372.76 g/mol
Exact Mass371.01
IUPAC NameN-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1C)c1cccc(Cl)c1C
InChIInChI=1S/C16H19BrClNS/c1-4-8-19-16(13-9-15(17)20-11(13)3)12-6-5-7-14(18)10(12)2/h5-7,9,16,19H,4,8H2,1-3H3
InChIKeyKMOMWYYCIGXGMN-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(3-chloro-2-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 107096598
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
N-[(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methyl]ethanamine
CID 107982055
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
N-[(3-chloro-2-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107102936
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine (CID 107096564) is N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(Br)sc1C)c1cccc(Cl)c1C.
What is the InChIKey of N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is KMOMWYYCIGXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNS/c1-4-8-19-16(13-9-15(17)20-11(13)3)12-6-5-7-14(18)10(12)2/h5-7,9,16,19H,4,8H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine?
N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 372.76 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107096564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).