2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine

C19H25NO — CID 54797210

IUPAC2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine
SMILESCCC(CNC(C)c1ccccc1)Oc1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-4-18(21-19-12-10-15(2)11-13-19)14-20-16(3)17-8-6-5-7-9-17/h5-13,16,18,20H,4,14H2,1-3H3
InChIKeyWQZZRHZMYUHWLF-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds7

About 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine

2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine (PubChem CID 54797210) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine
PubChem CID54797210
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine
SMILESCCC(CNC(C)c1ccccc1)Oc1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-4-18(21-19-12-10-15(2)11-13-19)14-20-16(3)17-8-6-5-7-9-17/h5-13,16,18,20H,4,14H2,1-3H3
InChIKeyWQZZRHZMYUHWLF-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-N-[(1S)-1-phenylethyl]butane-1,2-diamine
CID 91219857
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 115724375
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine?
The IUPAC name of 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine (CID 54797210) is 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine?
The canonical SMILES for 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine is CCC(CNC(C)c1ccccc1)Oc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine?
The InChIKey is WQZZRHZMYUHWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-18(21-19-12-10-15(2)11-13-19)14-20-16(3)17-8-6-5-7-9-17/h5-13,16,18,20H,4,14H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine?
2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine is sourced from PubChem (CID 54797210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).