1-anilinoheptan-2-ol

C13H21NO — CID 114998464

IUPAC1-anilinoheptan-2-ol
SMILESCCCCCC(O)CNc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-5-10-13(15)11-14-12-8-6-4-7-9-12/h4,6-9,13-15H,2-3,5,10-11H2,1H3
InChIKeyDHRNKUKASFJWHI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.04
Rot. Bonds7

About 1-anilinoheptan-2-ol

1-anilinoheptan-2-ol (PubChem CID 114998464) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-anilinoheptan-2-ol.

Molecular Properties

Compound Name1-anilinoheptan-2-ol
PubChem CID114998464
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-anilinoheptan-2-ol
SMILESCCCCCC(O)CNc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-5-10-13(15)11-14-12-8-6-4-7-9-12/h4,6-9,13-15H,2-3,5,10-11H2,1H3
InChIKeyDHRNKUKASFJWHI-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.04
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

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(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
1-anilinohexadecan-1-ol
CID 173133122
1-anilino-3-chloropropan-2-ol
CID 3640254
N-[2-(dimethoxymethyl)decyl]aniline
CID 152642326
1-(4-anilinophenyl)undecan-4-ol
CID 101298282
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Frequently Asked Questions

What is the IUPAC name of 1-anilinoheptan-2-ol?
The IUPAC name of 1-anilinoheptan-2-ol (CID 114998464) is 1-anilinoheptan-2-ol.
What is the SMILES notation for 1-anilinoheptan-2-ol?
The canonical SMILES for 1-anilinoheptan-2-ol is CCCCCC(O)CNc1ccccc1.
What is the InChIKey of 1-anilinoheptan-2-ol?
The InChIKey is DHRNKUKASFJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-5-10-13(15)11-14-12-8-6-4-7-9-12/h4,6-9,13-15H,2-3,5,10-11H2,1H3.
What are the key properties of 1-anilinoheptan-2-ol?
1-anilinoheptan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinoheptan-2-ol is sourced from PubChem (CID 114998464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).