1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine

C14H21NO — CID 82834330

IUPAC1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCC2CCC(C)O2)c1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-13(8-11)9-15-10-14-7-6-12(2)16-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyUILGWWOVTNMFSI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.65
Rot. Bonds4

About 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine

1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 82834330) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID82834330
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCC2CCC(C)O2)c1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-13(8-11)9-15-10-14-7-6-12(2)16-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyUILGWWOVTNMFSI-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 51119420
(2R)-2-[[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 124689298
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine (CID 82834330) is 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNCC2CCC(C)O2)c1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is UILGWWOVTNMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-3-5-13(8-11)9-15-10-14-7-6-12(2)16-14/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine?
1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 82834330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).