5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol

C17H29NO — CID 43099355

IUPAC5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
SMILESCc1ccc(C(C)NC(C)CCCC(C)C)c(O)c1
InChIInChI=1S/C17H29NO/c1-12(2)7-6-8-14(4)18-15(5)16-10-9-13(3)11-17(16)19/h9-12,14-15,18-19H,6-8H2,1-5H3
InChIKeyOERJFSPUBSKHHV-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.57
Rot. Bonds7

About 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol

5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol (PubChem CID 43099355) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
PubChem CID43099355
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
SMILESCc1ccc(C(C)NC(C)CCCC(C)C)c(O)c1
InChIInChI=1S/C17H29NO/c1-12(2)7-6-8-14(4)18-15(5)16-10-9-13(3)11-17(16)19/h9-12,14-15,18-19H,6-8H2,1-5H3
InChIKeyOERJFSPUBSKHHV-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
2-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]-5-methylphenol
CID 54963614
5-methyl-2-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]phenol
CID 113463320
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol
CID 43193475

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol (CID 43099355) is 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol is Cc1ccc(C(C)NC(C)CCCC(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
The InChIKey is OERJFSPUBSKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)7-6-8-14(4)18-15(5)16-10-9-13(3)11-17(16)19/h9-12,14-15,18-19H,6-8H2,1-5H3.
What are the key properties of 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol?
5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43099355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).