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

C19H25NO — CID 115995677

IUPACN-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
SMILESCCCc1ccc(Oc2ccccc2C(CC)NC)cc1
InChIInChI=1S/C19H25NO/c1-4-8-15-11-13-16(14-12-15)21-19-10-7-6-9-17(19)18(5-2)20-3/h6-7,9-14,18,20H,4-5,8H2,1-3H3
InChIKeyJCBYSDFGBPUERL-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.10
Rot. Bonds7

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

N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine (PubChem CID 115995677) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
PubChem CID115995677
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
SMILESCCCc1ccc(Oc2ccccc2C(CC)NC)cc1
InChIInChI=1S/C19H25NO/c1-4-8-15-11-13-16(14-12-15)21-19-10-7-6-9-17(19)18(5-2)20-3/h6-7,9-14,18,20H,4-5,8H2,1-3H3
InChIKeyJCBYSDFGBPUERL-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995554
1-[2-(3-methoxyphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995535
1-[2-(4-bromo-3-methylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995748
1-[2-(4-bromo-3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 107724832
1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
CID 112678488
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
CID 115995706
N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine
CID 115995484
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine (CID 115995677) is N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine is CCCc1ccc(Oc2ccccc2C(CC)NC)cc1.
What is the InChIKey of N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine?
The InChIKey is JCBYSDFGBPUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-8-15-11-13-16(14-12-15)21-19-10-7-6-9-17(19)18(5-2)20-3/h6-7,9-14,18,20H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine?
N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 115995677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).