(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine

C14H16ClNS — CID 55162371

IUPAC(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNS/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8,14H,3,16H2,1-2H3
InChIKeyXRUXZWTVPOAXSS-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.32
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine

(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 55162371) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID55162371
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNS/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8,14H,3,16H2,1-2H3
InChIKeyXRUXZWTVPOAXSS-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
CID 107560292
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
(5-ethylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464349
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
(3-chloro-4-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107561932

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine (CID 55162371) is (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2ccc(C)c(Cl)c2)s1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is XRUXZWTVPOAXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-3-11-6-7-13(17-11)14(16)10-5-4-9(2)12(15)8-10/h4-8,14H,3,16H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine?
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 265.81 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 55162371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).