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

C19H25NO — CID 63425079

IUPACN-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
SMILESCCCOc1ccc(-c2ccc(C(CC)NC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-14-21-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19(5-2)20-3/h6-13,19-20H,4-5,14H2,1-3H3
InChIKeyVDIXVLHIMIESGW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.81
Rot. Bonds7

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

N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine (PubChem CID 63425079) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
PubChem CID63425079
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
SMILESCCCOc1ccc(-c2ccc(C(CC)NC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-14-21-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19(5-2)20-3/h6-13,19-20H,4-5,14H2,1-3H3
InChIKeyVDIXVLHIMIESGW-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252
N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105144167
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine (CID 63425079) is N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine is CCCOc1ccc(-c2ccc(C(CC)NC)cc2)cc1.
What is the InChIKey of N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine?
The InChIKey is VDIXVLHIMIESGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-14-21-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19(5-2)20-3/h6-13,19-20H,4-5,14H2,1-3H3.
What are the key properties of N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine?
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 63425079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).