N-methyl-1-(2-propoxyphenyl)pentan-3-amine

C15H25NO — CID 104662744

IUPACN-methyl-1-(2-propoxyphenyl)pentan-3-amine
SMILESCCCOc1ccccc1CCC(CC)NC
InChIInChI=1S/C15H25NO/c1-4-12-17-15-9-7-6-8-13(15)10-11-14(5-2)16-3/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyLWQXLRCAUMPGTK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds8

About N-methyl-1-(2-propoxyphenyl)pentan-3-amine

N-methyl-1-(2-propoxyphenyl)pentan-3-amine (PubChem CID 104662744) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1-(2-propoxyphenyl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propoxyphenyl)pentan-3-amine
PubChem CID104662744
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-1-(2-propoxyphenyl)pentan-3-amine
SMILESCCCOc1ccccc1CCC(CC)NC
InChIInChI=1S/C15H25NO/c1-4-12-17-15-9-7-6-8-13(15)10-11-14(5-2)16-3/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyLWQXLRCAUMPGTK-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
1-(bromomethyl)-2-propoxybenzene
CID 43141572
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
CID 175883460
1-butyl-2-nonoxybenzene
CID 118255282

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propoxyphenyl)pentan-3-amine?
The IUPAC name of N-methyl-1-(2-propoxyphenyl)pentan-3-amine (CID 104662744) is N-methyl-1-(2-propoxyphenyl)pentan-3-amine.
What is the SMILES notation for N-methyl-1-(2-propoxyphenyl)pentan-3-amine?
The canonical SMILES for N-methyl-1-(2-propoxyphenyl)pentan-3-amine is CCCOc1ccccc1CCC(CC)NC.
What is the InChIKey of N-methyl-1-(2-propoxyphenyl)pentan-3-amine?
The InChIKey is LWQXLRCAUMPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-12-17-15-9-7-6-8-13(15)10-11-14(5-2)16-3/h6-9,14,16H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-1-(2-propoxyphenyl)pentan-3-amine?
N-methyl-1-(2-propoxyphenyl)pentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propoxyphenyl)pentan-3-amine is sourced from PubChem (CID 104662744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).