N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine

C14H23NO — CID 5262030

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
SMILESCCCCN(C)CCOc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-5-9-15(3)10-11-16-14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyNHSGBGSEWZIIKS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds7

About N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine

N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine (PubChem CID 5262030) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
PubChem CID5262030
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
SMILESCCCCN(C)CCOc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-5-9-15(3)10-11-16-14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyNHSGBGSEWZIIKS-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[butyl-[2-(3-methylphenoxy)ethyl]amino]propanoic acid
CID 82329411
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-[3-[butyl(methyl)amino]propoxy]benzenecarbothioamide
CID 43290321
1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78820677
1-methyl-3-[(Z)-undec-4-enoxy]benzene
CID 143691460

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine (CID 5262030) is N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine is CCCCN(C)CCOc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine?
The InChIKey is NHSGBGSEWZIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-9-15(3)10-11-16-14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine?
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 5262030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).