4-[2-[bis(2-methylpropyl)amino]propyl]phenol

C17H29NO — CID 82981802

IUPAC4-[2-[bis(2-methylpropyl)amino]propyl]phenol
SMILESCC(C)CN(CC(C)C)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H29NO/c1-13(2)11-18(12-14(3)4)15(5)10-16-6-8-17(19)9-7-16/h6-9,13-15,19H,10-12H2,1-5H3
InChIKeyDIZJAJNVRUQCQX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.94
Rot. Bonds7

About 4-[2-[bis(2-methylpropyl)amino]propyl]phenol

4-[2-[bis(2-methylpropyl)amino]propyl]phenol (PubChem CID 82981802) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[2-[bis(2-methylpropyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[bis(2-methylpropyl)amino]propyl]phenol
PubChem CID82981802
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[2-[bis(2-methylpropyl)amino]propyl]phenol
SMILESCC(C)CN(CC(C)C)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H29NO/c1-13(2)11-18(12-14(3)4)15(5)10-16-6-8-17(19)9-7-16/h6-9,13-15,19H,10-12H2,1-5H3
InChIKeyDIZJAJNVRUQCQX-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
CID 82982431
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
4-[(2R)-2-[bis[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenol
CID 18645339
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221
4-[1-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981957
4-[(2S)-3-chloro-2-[[[(2S)-1-chloro-3-(4-hydroxyphenyl)propan-2-yl]-(2-methylpropyl)amino]-(2-methylpropyl)amino]propyl]phenol
CID 57106804
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
CID 115496222
4-(2-amino-4-methylpentyl)phenol
CID 62754924
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(2-methylpropyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[bis(2-methylpropyl)amino]propyl]phenol (CID 82981802) is 4-[2-[bis(2-methylpropyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[bis(2-methylpropyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[bis(2-methylpropyl)amino]propyl]phenol is CC(C)CN(CC(C)C)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[bis(2-methylpropyl)amino]propyl]phenol?
The InChIKey is DIZJAJNVRUQCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)11-18(12-14(3)4)15(5)10-16-6-8-17(19)9-7-16/h6-9,13-15,19H,10-12H2,1-5H3.
What are the key properties of 4-[2-[bis(2-methylpropyl)amino]propyl]phenol?
4-[2-[bis(2-methylpropyl)amino]propyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(2-methylpropyl)amino]propyl]phenol is sourced from PubChem (CID 82981802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).