N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine

C14H21NO — CID 115768702

IUPACN-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
SMILESCc1ccc(C)c(CNC2(C)CCOC2)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-12(2)13(8-11)9-15-14(3)6-7-16-10-14/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyQEDJDPLQIVUPON-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.57
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine

N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine (PubChem CID 115768702) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
PubChem CID115768702
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
SMILESCc1ccc(C)c(CNC2(C)CCOC2)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-12(2)13(8-11)9-15-14(3)6-7-16-10-14/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyQEDJDPLQIVUPON-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888
(3S)-N-[[4-(1,3-dioxolan-2-yl)-2,5-dimethylphenyl]methyl]-3-methyloxolan-3-amine
CID 164634101
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 115768600
N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
CID 131025793
3-(chloromethyl)-3-[(2,5-dimethylphenyl)methyl]oxolane
CID 66036150
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
3-[(2,5-dimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62740971
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine (CID 115768702) is N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine is Cc1ccc(C)c(CNC2(C)CCOC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine?
The InChIKey is QEDJDPLQIVUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-5-12(2)13(8-11)9-15-14(3)6-7-16-10-14/h4-5,8,15H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine?
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 115768702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).