N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine

C15H25NO — CID 170866592

IUPACN,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(C)cc1CCCN(C)C
InChIInChI=1S/C15H25NO/c1-5-11-17-15-9-8-13(2)12-14(15)7-6-10-16(3)4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyFREVIVPMBXJKQN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds7

About N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine

N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine (PubChem CID 170866592) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine
PubChem CID170866592
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(C)cc1CCCN(C)C
InChIInChI=1S/C15H25NO/c1-5-11-17-15-9-8-13(2)12-14(15)7-6-10-16(3)4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyFREVIVPMBXJKQN-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-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

4-(5-methyl-2-propoxyphenyl)butanethioamide
CID 83933530
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
2-(bromomethyl)-4-methyl-1-nonoxybenzene
CID 63535427
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
sodium 2-(4-methyl-2-nonylphenoxy)ethyl sulfate
CID 22892679

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine (CID 170866592) is N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine is CCCOc1ccc(C)cc1CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine?
The InChIKey is FREVIVPMBXJKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-11-17-15-9-8-13(2)12-14(15)7-6-10-16(3)4/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine?
N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 170866592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).