1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine

C16H19NS — CID 99776814

IUPAC1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1(c2ccccc2)CCC1)c1ccsc1
InChIInChI=1S/C16H19NS/c1-13(14-8-11-18-12-14)17-16(9-5-10-16)15-6-3-2-4-7-15/h2-4,6-8,11-13,17H,5,9-10H2,1H3/t13-/m1/s1
InChIKeyDNEPKIAVIVPJML-CYBMUJFWSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds4

About 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine

1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine (PubChem CID 99776814) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine
PubChem CID99776814
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1(c2ccccc2)CCC1)c1ccsc1
InChIInChI=1S/C16H19NS/c1-13(14-8-11-18-12-14)17-16(9-5-10-16)15-6-3-2-4-7-15/h2-4,6-8,11-13,17H,5,9-10H2,1H3/t13-/m1/s1
InChIKeyDNEPKIAVIVPJML-CYBMUJFWSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
CID 65105093
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
N-methyl-1-(1-phenylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65104923
(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 100680717
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573
N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 53299309
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81162908

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine?
The IUPAC name of 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine (CID 99776814) is 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine is C[C@@H](NC1(c2ccccc2)CCC1)c1ccsc1.
What is the InChIKey of 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine?
The InChIKey is DNEPKIAVIVPJML-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NS/c1-13(14-8-11-18-12-14)17-16(9-5-10-16)15-6-3-2-4-7-15/h2-4,6-8,11-13,17H,5,9-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine?
1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine is sourced from PubChem (CID 99776814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).