N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine

C16H25NO — CID 76943546

IUPACN-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNC(C)C
InChIInChI=1S/C16H25NO/c1-4-9-15-10-5-6-11-16(15)18-13-8-7-12-17-14(2)3/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3
InChIKeyKBXQIFBKYDOEMS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds8

About N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine

N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine (PubChem CID 76943546) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
PubChem CID76943546
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNC(C)C
InChIInChI=1S/C16H25NO/c1-4-9-15-10-5-6-11-16(15)18-13-8-7-12-17-14(2)3/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3
InChIKeyKBXQIFBKYDOEMS-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
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

N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
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
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76946631
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine
CID 103272985
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938428
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine?
The IUPAC name of N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine (CID 76943546) is N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine is CC=Cc1ccccc1OCCCCNC(C)C.
What is the InChIKey of N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine?
The InChIKey is KBXQIFBKYDOEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-9-15-10-5-6-11-16(15)18-13-8-7-12-17-14(2)3/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3.
What are the key properties of N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine?
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine is sourced from PubChem (CID 76943546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).