(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine

C17H25NO — CID 94380091

IUPAC(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
SMILESCc1ccc([C@@H](NC[C@H]2CCCCO2)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-13-5-7-14(8-6-13)17(15-9-10-15)18-12-16-4-2-3-11-19-16/h5-8,15-18H,2-4,9-12H2,1H3/t16-,17-/m1/s1
InChIKeyGBZAHSJSEPBFNM-IAGOWNOFSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds5

About (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine

(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine (PubChem CID 94380091) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
PubChem CID94380091
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
SMILESCc1ccc([C@@H](NC[C@H]2CCCCO2)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-13-5-7-14(8-6-13)17(15-9-10-15)18-12-16-4-2-3-11-19-16/h5-8,15-18H,2-4,9-12H2,1H3/t16-,17-/m1/s1
InChIKeyGBZAHSJSEPBFNM-IAGOWNOFSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 43234864
1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 106313066
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine?
The IUPAC name of (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine (CID 94380091) is (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine.
What is the SMILES notation for (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine?
The canonical SMILES for (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine is Cc1ccc([C@@H](NC[C@H]2CCCCO2)C2CC2)cc1.
What is the InChIKey of (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine?
The InChIKey is GBZAHSJSEPBFNM-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-7-14(8-6-13)17(15-9-10-15)18-12-16-4-2-3-11-19-16/h5-8,15-18H,2-4,9-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine?
(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine is sourced from PubChem (CID 94380091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).