N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine

C17H27NO — CID 76997630

IUPACN-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CNCCCCC
InChIInChI=1S/C17H27NO/c1-4-6-9-13-18-14-15(3)19-17-12-8-7-11-16(17)10-5-2/h5,7-8,10-12,15,18H,4,6,9,13-14H2,1-3H3
InChIKeyVYOYAWSMCMAPJB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.27
Rot. Bonds9

About N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine

N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine (PubChem CID 76997630) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
PubChem CID76997630
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CNCCCCC
InChIInChI=1S/C17H27NO/c1-4-6-9-13-18-14-15(3)19-17-12-8-7-11-16(17)10-5-2/h5,7-8,10-12,15,18H,4,6,9,13-14H2,1-3H3
InChIKeyVYOYAWSMCMAPJB-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
CID 76997631
N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943582
N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76997566
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943648
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943605
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine (CID 76997630) is N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine is CC=Cc1ccccc1OC(C)CNCCCCC.
What is the InChIKey of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine?
The InChIKey is VYOYAWSMCMAPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-9-13-18-14-15(3)19-17-12-8-7-11-16(17)10-5-2/h5,7-8,10-12,15,18H,4,6,9,13-14H2,1-3H3.
What are the key properties of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine?
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine is sourced from PubChem (CID 76997630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).