4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol

C18H23NO — CID 115688990

IUPAC4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
SMILESCC(C)Cc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)11-15-3-5-16(6-4-15)12-19-13-17-7-9-18(20)10-8-17/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyPOGFCXCTXVVYDJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.88
Rot. Bonds6

About 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol

4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol (PubChem CID 115688990) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
PubChem CID115688990
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
SMILESCC(C)Cc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)11-15-3-5-16(6-4-15)12-19-13-17-7-9-18(20)10-8-17/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyPOGFCXCTXVVYDJ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
3-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]but-2-en-1-amine
CID 106180560
1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
CID 103748523
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
CID 163373715
5-[[4-(2-methylpropyl)phenyl]methylamino]pentan-2-one
CID 115236449

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol?
The IUPAC name of 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol (CID 115688990) is 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol is CC(C)Cc1ccc(CNCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol?
The InChIKey is POGFCXCTXVVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)11-15-3-5-16(6-4-15)12-19-13-17-7-9-18(20)10-8-17/h3-10,14,19-20H,11-13H2,1-2H3.
What are the key properties of 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol?
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 115688990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).