2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine

C16H27NO — CID 107890981

IUPAC2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCC(C)Oc1cccc(CNCC(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-7-14(4)18-16-9-6-8-15(10-16)12-17-11-13(2)3/h6,8-10,13-14,17H,5,7,11-12H2,1-4H3
InChIKeyYGYNRLOYYLWFRH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds8

About 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine

2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 107890981) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID107890981
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCC(C)Oc1cccc(CNCC(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-7-14(4)18-16-9-6-8-15(10-16)12-17-11-13(2)3/h6,8-10,13-14,17H,5,7,11-12H2,1-4H3
InChIKeyYGYNRLOYYLWFRH-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate
CID 3321893
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 114492020
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine (CID 107890981) is 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine is CCCC(C)Oc1cccc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is YGYNRLOYYLWFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-14(4)18-16-9-6-8-15(10-16)12-17-11-13(2)3/h6,8-10,13-14,17H,5,7,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107890981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).