2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol

C19H25NO — CID 43101708

IUPAC2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol
SMILESCCC(CO)NC(c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C19H25NO/c1-4-17(13-21)20-19(16-8-6-5-7-9-16)18-11-10-14(2)12-15(18)3/h5-12,17,19-21H,4,13H2,1-3H3
InChIKeyKDGSXWGPZAVWPS-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.75
Rot. Bonds6

About 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol

2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol (PubChem CID 43101708) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol
PubChem CID43101708
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol
SMILESCCC(CO)NC(c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C19H25NO/c1-4-17(13-21)20-19(16-8-6-5-7-9-16)18-11-10-14(2)12-15(18)3/h5-12,17,19-21H,4,13H2,1-3H3
InChIKeyKDGSXWGPZAVWPS-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylphenyl)-4-hydroxy-3-(1-hydroxybutan-2-ylamino)butanoic acid
CID 82349733
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515
1-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-3-(4-ethoxyphenyl)thiourea
CID 100747354
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol?
The IUPAC name of 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol (CID 43101708) is 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol?
The canonical SMILES for 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol is CCC(CO)NC(c1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol?
The InChIKey is KDGSXWGPZAVWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-17(13-21)20-19(16-8-6-5-7-9-16)18-11-10-14(2)12-15(18)3/h5-12,17,19-21H,4,13H2,1-3H3.
What are the key properties of 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol?
2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol is sourced from PubChem (CID 43101708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).