N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine

C15H25NO — CID 55093955

IUPACN-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
SMILESCNC(CCOC(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)17-10-9-15(16-4)11-14-7-5-13(3)6-8-14/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyLXMQHDPXAOCMHM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds7

About N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine

N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine (PubChem CID 55093955) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
PubChem CID55093955
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
SMILESCNC(CCOC(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)17-10-9-15(16-4)11-14-7-5-13(3)6-8-14/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyLXMQHDPXAOCMHM-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62514332
4-(methylamino)-5-(4-methylphenyl)pentanal
CID 144898654
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine (CID 55093955) is N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine is CNC(CCOC(C)C)Cc1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine?
The InChIKey is LXMQHDPXAOCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)17-10-9-15(16-4)11-14-7-5-13(3)6-8-14/h5-8,12,15-16H,9-11H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine?
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 55093955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).