4-[1-(heptan-2-ylamino)ethyl]phenol

C15H25NO — CID 43572743

IUPAC4-[1-(heptan-2-ylamino)ethyl]phenol
SMILESCCCCCC(C)NC(C)c1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-12(2)16-13(3)14-8-10-15(17)11-9-14/h8-13,16-17H,4-7H2,1-3H3
InChIKeyIHPDOIQJUYNFCB-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.01
Rot. Bonds7

About 4-[1-(heptan-2-ylamino)ethyl]phenol

4-[1-(heptan-2-ylamino)ethyl]phenol (PubChem CID 43572743) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[1-(heptan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(heptan-2-ylamino)ethyl]phenol
PubChem CID43572743
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[1-(heptan-2-ylamino)ethyl]phenol
SMILESCCCCCC(C)NC(C)c1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-12(2)16-13(3)14-8-10-15(17)11-9-14/h8-13,16-17H,4-7H2,1-3H3
InChIKeyIHPDOIQJUYNFCB-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[1-(4-bromophenyl)ethyl]nonan-2-amine
CID 63454622
N-(1-phenylethyl)hexan-2-amine
CID 43755937
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]heptan-2-amine
CID 43572679
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
4-undecan-6-ylphenol
CID 66867197
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
(2S)-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]octan-2-amine
CID 124672844
4-hexadecan-7-ylphenol
CID 71320883
4-(1-hydroxytridecyl)phenol
CID 57120972
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632

Frequently Asked Questions

What is the IUPAC name of 4-[1-(heptan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[1-(heptan-2-ylamino)ethyl]phenol (CID 43572743) is 4-[1-(heptan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(heptan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(heptan-2-ylamino)ethyl]phenol is CCCCCC(C)NC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(heptan-2-ylamino)ethyl]phenol?
The InChIKey is IHPDOIQJUYNFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-7-12(2)16-13(3)14-8-10-15(17)11-9-14/h8-13,16-17H,4-7H2,1-3H3.
What are the key properties of 4-[1-(heptan-2-ylamino)ethyl]phenol?
4-[1-(heptan-2-ylamino)ethyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(heptan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43572743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).