(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine

C15H19NS — CID 81398150

IUPAC(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cc(C)cc(CN[C@@H](C)c2cccs2)c1
InChIInChI=1S/C15H19NS/c1-11-7-12(2)9-14(8-11)10-16-13(3)15-5-4-6-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m0/s1
InChIKeyATCDPPJBQHAENB-ZDUSSCGKSA-N
MW245.39 g/mol
LogP4.22
Rot. Bonds4

About (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81398150) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81398150
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cc(C)cc(CN[C@@H](C)c2cccs2)c1
InChIInChI=1S/C15H19NS/c1-11-7-12(2)9-14(8-11)10-16-13(3)15-5-4-6-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m0/s1
InChIKeyATCDPPJBQHAENB-ZDUSSCGKSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398523
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526
(1R)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398171

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine (CID 81398150) is (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine is Cc1cc(C)cc(CN[C@@H](C)c2cccs2)c1.
What is the InChIKey of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ATCDPPJBQHAENB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-7-12(2)9-14(8-11)10-16-13(3)15-5-4-6-17-15/h4-9,13,16H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).