(3-propylphenyl)-thiophen-3-ylmethanamine

C14H17NS — CID 116543884

IUPAC(3-propylphenyl)-thiophen-3-ylmethanamine
SMILESCCCc1cccc(C(N)c2ccsc2)c1
InChIInChI=1S/C14H17NS/c1-2-4-11-5-3-6-12(9-11)14(15)13-7-8-16-10-13/h3,5-10,14H,2,4,15H2,1H3
InChIKeyOAGCSVLHAKQINJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.75
Rot. Bonds4

About (3-propylphenyl)-thiophen-3-ylmethanamine

(3-propylphenyl)-thiophen-3-ylmethanamine (PubChem CID 116543884) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (3-propylphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(3-propylphenyl)-thiophen-3-ylmethanamine
PubChem CID116543884
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(3-propylphenyl)-thiophen-3-ylmethanamine
SMILESCCCc1cccc(C(N)c2ccsc2)c1
InChIInChI=1S/C14H17NS/c1-2-4-11-5-3-6-12(9-11)14(15)13-7-8-16-10-13/h3,5-10,14H,2,4,15H2,1H3
InChIKeyOAGCSVLHAKQINJ-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
1-(3-propylphenyl)ethanamine
CID 116543909
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171211289
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (3-propylphenyl)-thiophen-3-ylmethanamine (CID 116543884) is (3-propylphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (3-propylphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (3-propylphenyl)-thiophen-3-ylmethanamine is CCCc1cccc(C(N)c2ccsc2)c1.
What is the InChIKey of (3-propylphenyl)-thiophen-3-ylmethanamine?
The InChIKey is OAGCSVLHAKQINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-4-11-5-3-6-12(9-11)14(15)13-7-8-16-10-13/h3,5-10,14H,2,4,15H2,1H3.
What are the key properties of (3-propylphenyl)-thiophen-3-ylmethanamine?
(3-propylphenyl)-thiophen-3-ylmethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 116543884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).