N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine

C14H20ClNOS — CID 115898470

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H20ClNOS/c1-18(17)10-2-9-16-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyQOGUYFKYYOPKHM-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.15
Rot. Bonds7

About N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine (PubChem CID 115898470) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
PubChem CID115898470
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H20ClNOS/c1-18(17)10-2-9-16-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyQOGUYFKYYOPKHM-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 115605327
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine (CID 115898470) is N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine is CS(=O)CCCNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine?
The InChIKey is QOGUYFKYYOPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-18(17)10-2-9-16-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115898470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).