2-methyl-N-[1-(oxan-4-yl)ethyl]aniline

C14H21NO — CID 115916403

IUPAC2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
SMILESCc1ccccc1NC(C)C1CCOCC1
InChIInChI=1S/C14H21NO/c1-11-5-3-4-6-14(11)15-12(2)13-7-9-16-10-8-13/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyZCMNXMTWANLOHY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline

2-methyl-N-[1-(oxan-4-yl)ethyl]aniline (PubChem CID 115916403) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
PubChem CID115916403
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
SMILESCc1ccccc1NC(C)C1CCOCC1
InChIInChI=1S/C14H21NO/c1-11-5-3-4-6-14(11)15-12(2)13-7-9-16-10-8-13/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyZCMNXMTWANLOHY-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline
CID 115921631
2-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679742
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
4-bromo-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 89287580
3-iodo-N-[1-(oxan-4-yl)ethyl]aniline
CID 115928305
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline (CID 115916403) is 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline is Cc1ccccc1NC(C)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline?
The InChIKey is ZCMNXMTWANLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-4-6-14(11)15-12(2)13-7-9-16-10-8-13/h3-6,12-13,15H,7-10H2,1-2H3.
What are the key properties of 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline?
2-methyl-N-[1-(oxan-4-yl)ethyl]aniline has a molecular weight of 219.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxan-4-yl)ethyl]aniline is sourced from PubChem (CID 115916403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).