N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine

C14H23NO — CID 115705142

IUPACN-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
SMILESCOCCCNC(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-5-7-14(8-6-12)11-13(2)15-9-4-10-16-3/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyMQBBTOKWJRHFQD-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds7

About N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine

N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine (PubChem CID 115705142) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
PubChem CID115705142
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
SMILESCOCCCNC(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-5-7-14(8-6-12)11-13(2)15-9-4-10-16-3/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyMQBBTOKWJRHFQD-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-1-(4-methylphenyl)propan-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

(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
CID 110174705
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
4-[2-(3-ethoxypropylamino)propyl]aniline
CID 82257195
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
2-chloro-5-[3-[1-(4-methylphenyl)propan-2-ylamino]propyl]aniline
CID 167555712

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine (CID 115705142) is N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine is COCCCNC(C)Cc1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is MQBBTOKWJRHFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-5-7-14(8-6-12)11-13(2)15-9-4-10-16-3/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine?
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 115705142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).