4-[(2-methylbutylamino)-phenylmethyl]phenol

C18H23NO — CID 62693261

IUPAC4-[(2-methylbutylamino)-phenylmethyl]phenol
SMILESCCC(C)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-3-14(2)13-19-18(15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-12,14,18-20H,3,13H2,1-2H3
InChIKeyNGEVWGCTUKPSQG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.12
Rot. Bonds6

About 4-[(2-methylbutylamino)-phenylmethyl]phenol

4-[(2-methylbutylamino)-phenylmethyl]phenol (PubChem CID 62693261) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(2-methylbutylamino)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(2-methylbutylamino)-phenylmethyl]phenol
PubChem CID62693261
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[(2-methylbutylamino)-phenylmethyl]phenol
SMILESCCC(C)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-3-14(2)13-19-18(15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-12,14,18-20H,3,13H2,1-2H3
InChIKeyNGEVWGCTUKPSQG-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 66092508
4-[(2-hydroxypentylamino)-phenylmethyl]phenol
CID 115971945
2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
CID 115887797
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
N-benzhydryl-2-bromopropan-1-amine
CID 57148463
2-methyl-N-[(1S)-1-phenylethyl]butan-1-amine;(1S)-1-phenylethanamine
CID 167591291
4-[(pent-1-yn-3-ylamino)-phenylmethyl]phenol
CID 106224824
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
4-[1-(3-phenylbutylamino)propyl]phenol
CID 62988194
4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
CID 103949202
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbutylamino)-phenylmethyl]phenol?
The IUPAC name of 4-[(2-methylbutylamino)-phenylmethyl]phenol (CID 62693261) is 4-[(2-methylbutylamino)-phenylmethyl]phenol.
What is the SMILES notation for 4-[(2-methylbutylamino)-phenylmethyl]phenol?
The canonical SMILES for 4-[(2-methylbutylamino)-phenylmethyl]phenol is CCC(C)CNC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(2-methylbutylamino)-phenylmethyl]phenol?
The InChIKey is NGEVWGCTUKPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-14(2)13-19-18(15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-12,14,18-20H,3,13H2,1-2H3.
What are the key properties of 4-[(2-methylbutylamino)-phenylmethyl]phenol?
4-[(2-methylbutylamino)-phenylmethyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbutylamino)-phenylmethyl]phenol is sourced from PubChem (CID 62693261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).