N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine

C18H29NOS — CID 64652860

IUPACN-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
SMILESCCNC1CCC(c2ccccc2)CC1S(=O)CC(C)C
InChIInChI=1S/C18H29NOS/c1-4-19-17-11-10-16(15-8-6-5-7-9-15)12-18(17)21(20)13-14(2)3/h5-9,14,16-19H,4,10-13H2,1-3H3
InChIKeyXPFQYYSMPXJZFB-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine

N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine (PubChem CID 64652860) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
PubChem CID64652860
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
SMILESCCNC1CCC(c2ccccc2)CC1S(=O)CC(C)C
InChIInChI=1S/C18H29NOS/c1-4-19-17-11-10-16(15-8-6-5-7-9-15)12-18(17)21(20)13-14(2)3/h5-9,14,16-19H,4,10-13H2,1-3H3
InChIKeyXPFQYYSMPXJZFB-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
CID 64651846
2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
CID 64651096
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216
N-ethyl-4-phenyl-2-propylcyclohexan-1-amine
CID 55185589
2-(2-cyclopropylethoxy)-N-ethyl-4-phenylcyclohexan-1-amine
CID 106200460
N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine
CID 104648371
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
N-ethyl-2-(3-methoxypropylsulfanyl)-4-phenylcyclohexan-1-amine
CID 64626468
cyclopropylbenzene;ethylhydrazine
CID 22346635
N-ethyl-3-phenyl-2-propan-2-ylcyclobutan-1-amine
CID 81421340
N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627513
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine (CID 64652860) is N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine is CCNC1CCC(c2ccccc2)CC1S(=O)CC(C)C.
What is the InChIKey of N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
The InChIKey is XPFQYYSMPXJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-4-19-17-11-10-16(15-8-6-5-7-9-15)12-18(17)21(20)13-14(2)3/h5-9,14,16-19H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine?
N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 64652860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).