N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine

C19H25NO — CID 43279374

IUPACN-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-13-20-16(3)18-9-11-19(12-10-18)21-14-17-7-5-15(2)6-8-17/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyAYCNSNPOWRHPEK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds7

About N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 43279374) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID43279374
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-13-20-16(3)18-9-11-19(12-10-18)21-14-17-7-5-15(2)6-8-17/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyAYCNSNPOWRHPEK-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62698763
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine (CID 43279374) is N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is AYCNSNPOWRHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-13-20-16(3)18-9-11-19(12-10-18)21-14-17-7-5-15(2)6-8-17/h5-12,16,20H,4,13-14H2,1-3H3.
What are the key properties of N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43279374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).