2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine

C14H21NO — CID 83045143

IUPAC2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
SMILESC/C=C/c1ccccc1OC(CN)CCC
InChIInChI=1S/C14H21NO/c1-3-7-12-9-5-6-10-14(12)16-13(11-15)8-4-2/h3,5-7,9-10,13H,4,8,11,15H2,1-2H3/b7-3+
InChIKeyUQWDGYGQWKGZFW-XVNBXDOJSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine

2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine (PubChem CID 83045143) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
PubChem CID83045143
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
SMILESC/C=C/c1ccccc1OC(CN)CCC
InChIInChI=1S/C14H21NO/c1-3-7-12-9-5-6-10-14(12)16-13(11-15)8-4-2/h3,5-7,9-10,13H,4,8,11,15H2,1-2H3/b7-3+
InChIKeyUQWDGYGQWKGZFW-XVNBXDOJSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943605
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
CID 76997631
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
CID 76997630
2-(2-methylphenoxy)octan-1-amine
CID 155313069
1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
CID 155122599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
The IUPAC name of 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine (CID 83045143) is 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine.
What is the SMILES notation for 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
The canonical SMILES for 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine is C/C=C/c1ccccc1OC(CN)CCC.
What is the InChIKey of 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
The InChIKey is UQWDGYGQWKGZFW-XVNBXDOJSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-12-9-5-6-10-14(12)16-13(11-15)8-4-2/h3,5-7,9-10,13H,4,8,11,15H2,1-2H3/b7-3+.
What are the key properties of 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine is sourced from PubChem (CID 83045143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).