2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine

C14H23NO — CID 28610770

IUPAC2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCOc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-9-16-14-7-5-13(6-8-14)11-15-10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyQXOPPLGLWGZXAT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.22
Rot. Bonds7

About 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine

2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine (PubChem CID 28610770) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
PubChem CID28610770
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCOc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-9-16-14-7-5-13(6-8-14)11-15-10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyQXOPPLGLWGZXAT-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
CID 115586624
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine (CID 28610770) is 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine is CCCOc1ccc(CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is QXOPPLGLWGZXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-9-16-14-7-5-13(6-8-14)11-15-10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine?
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 28610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).