2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol

C16H26N2O — CID 61471961

IUPAC2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)CN1CCCC1)c1ccccc1O
InChIInChI=1S/C16H26N2O/c1-3-15(14-8-4-5-9-16(14)19)17-13(2)12-18-10-6-7-11-18/h4-5,8-9,13,15,17,19H,3,6-7,10-12H2,1-2H3
InChIKeyMEUKYVRFRHBCKV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol

2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol (PubChem CID 61471961) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
PubChem CID61471961
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)CN1CCCC1)c1ccccc1O
InChIInChI=1S/C16H26N2O/c1-3-15(14-8-4-5-9-16(14)19)17-13(2)12-18-10-6-7-11-18/h4-5,8-9,13,15,17,19H,3,6-7,10-12H2,1-2H3
InChIKeyMEUKYVRFRHBCKV-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
CID 43191890
2-[1-(heptan-2-ylamino)propyl]phenol
CID 43572696
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[(2R)-2-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]propyl]phthalazin-1-one
CID 129393102

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol?
The IUPAC name of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol (CID 61471961) is 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol?
The canonical SMILES for 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol is CCC(NC(C)CN1CCCC1)c1ccccc1O.
What is the InChIKey of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol?
The InChIKey is MEUKYVRFRHBCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15(14-8-4-5-9-16(14)19)17-13(2)12-18-10-6-7-11-18/h4-5,8-9,13,15,17,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol?
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 61471961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).