2-[(1-cyclopropylbutylamino)methyl]phenol

C14H21NO — CID 115769918

IUPAC2-[(1-cyclopropylbutylamino)methyl]phenol
SMILESCCCC(NCc1ccccc1O)C1CC1
InChIInChI=1S/C14H21NO/c1-2-5-13(11-8-9-11)15-10-12-6-3-4-7-14(12)16/h3-4,6-7,11,13,15-16H,2,5,8-10H2,1H3
InChIKeyXENSABSPTIOWAW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds6

About 2-[(1-cyclopropylbutylamino)methyl]phenol

2-[(1-cyclopropylbutylamino)methyl]phenol (PubChem CID 115769918) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(1-cyclopropylbutylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-cyclopropylbutylamino)methyl]phenol
PubChem CID115769918
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(1-cyclopropylbutylamino)methyl]phenol
SMILESCCCC(NCc1ccccc1O)C1CC1
InChIInChI=1S/C14H21NO/c1-2-5-13(11-8-9-11)15-10-12-6-3-4-7-14(12)16/h3-4,6-7,11,13,15-16H,2,5,8-10H2,1H3
InChIKeyXENSABSPTIOWAW-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylbutylamino)methyl]phenol?
The IUPAC name of 2-[(1-cyclopropylbutylamino)methyl]phenol (CID 115769918) is 2-[(1-cyclopropylbutylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-cyclopropylbutylamino)methyl]phenol?
The canonical SMILES for 2-[(1-cyclopropylbutylamino)methyl]phenol is CCCC(NCc1ccccc1O)C1CC1.
What is the InChIKey of 2-[(1-cyclopropylbutylamino)methyl]phenol?
The InChIKey is XENSABSPTIOWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-5-13(11-8-9-11)15-10-12-6-3-4-7-14(12)16/h3-4,6-7,11,13,15-16H,2,5,8-10H2,1H3.
What are the key properties of 2-[(1-cyclopropylbutylamino)methyl]phenol?
2-[(1-cyclopropylbutylamino)methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylbutylamino)methyl]phenol is sourced from PubChem (CID 115769918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).