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

C18H29NO — CID 83044799

IUPACN-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
SMILESC/C=C/c1ccccc1OC(CCC)CNCC(C)C
InChIInChI=1S/C18H29NO/c1-5-9-16-11-7-8-12-18(16)20-17(10-6-2)14-19-13-15(3)4/h5,7-9,11-12,15,17,19H,6,10,13-14H2,1-4H3/b9-5+
InChIKeyQJFWDCCJMHMSMX-WEVVVXLNSA-N
MW275.44 g/mol
LogP4.51
Rot. Bonds9

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

N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine (PubChem CID 83044799) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
PubChem CID83044799
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
SMILESC/C=C/c1ccccc1OC(CCC)CNCC(C)C
InChIInChI=1S/C18H29NO/c1-5-9-16-11-7-8-12-18(16)20-17(10-6-2)14-19-13-15(3)4/h5,7-9,11-12,15,17,19H,6,10,13-14H2,1-4H3/b9-5+
InChIKeyQJFWDCCJMHMSMX-WEVVVXLNSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83045143
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
CID 76997631
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943582
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
CID 76997630
4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76997566
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
CID 83046652
N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
CID 83045552
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine (CID 83044799) is N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine is C/C=C/c1ccccc1OC(CCC)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
The InChIKey is QJFWDCCJMHMSMX-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-9-16-11-7-8-12-18(16)20-17(10-6-2)14-19-13-15(3)4/h5,7-9,11-12,15,17,19H,6,10,13-14H2,1-4H3/b9-5+.
What are the key properties of N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine?
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine is sourced from PubChem (CID 83044799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).