(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine

C19H25NO — CID 81347006

IUPAC(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-13-21-19-11-7-17(8-12-19)14-20-16(3)18-9-5-15(2)6-10-18/h5-12,16,20H,4,13-14H2,1-3H3/t16-/m1/s1
InChIKeyOALXYKMGKQZWQF-MRXNPFEDSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds7

About (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine (PubChem CID 81347006) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
PubChem CID81347006
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-13-21-19-11-7-17(8-12-19)14-20-16(3)18-9-5-15(2)6-10-18/h5-12,16,20H,4,13-14H2,1-3H3/t16-/m1/s1
InChIKeyOALXYKMGKQZWQF-MRXNPFEDSA-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-(3-methylbutoxy)phenyl]-N-[(4-methylphenyl)methyl]ethanamine
CID 54804064
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine (CID 81347006) is (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is OALXYKMGKQZWQF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-13-21-19-11-7-17(8-12-19)14-20-16(3)18-9-5-15(2)6-10-18/h5-12,16,20H,4,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine 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 (1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81347006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).