N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine

C15H23NOS — CID 114285157

IUPACN-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
SMILESCCC(NC1CSCC1C)c1ccc(OC)cc1
InChIInChI=1S/C15H23NOS/c1-4-14(16-15-10-18-9-11(15)2)12-5-7-13(17-3)8-6-12/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyRBERVXXSRPFLQS-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine

N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine (PubChem CID 114285157) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
PubChem CID114285157
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
SMILESCCC(NC1CSCC1C)c1ccc(OC)cc1
InChIInChI=1S/C15H23NOS/c1-4-14(16-15-10-18-9-11(15)2)12-5-7-13(17-3)8-6-12/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyRBERVXXSRPFLQS-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352429
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine (CID 114285157) is N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine is CCC(NC1CSCC1C)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine?
The InChIKey is RBERVXXSRPFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-14(16-15-10-18-9-11(15)2)12-5-7-13(17-3)8-6-12/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine?
N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine is sourced from PubChem (CID 114285157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).