1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine

C16H23NO — CID 43234864

IUPAC1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1ccc(C(NCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12-4-6-13(7-5-12)16(14-8-9-14)17-11-15-3-2-10-18-15/h4-7,14-17H,2-3,8-11H2,1H3
InChIKeyLLBXVDKNMCGEKZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds5

About 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine

1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 43234864) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID43234864
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1ccc(C(NCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12-4-6-13(7-5-12)16(14-8-9-14)17-11-15-3-2-10-18-15/h4-7,14-17H,2-3,8-11H2,1H3
InChIKeyLLBXVDKNMCGEKZ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
CID 94380091
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 106313066
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine (CID 43234864) is 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine is Cc1ccc(C(NCC2CCCO2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is LLBXVDKNMCGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-4-6-13(7-5-12)16(14-8-9-14)17-11-15-3-2-10-18-15/h4-7,14-17H,2-3,8-11H2,1H3.
What are the key properties of 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine?
1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 43234864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).