N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine

C17H27NO — CID 76943582

IUPACN-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNCC(C)C
InChIInChI=1S/C17H27NO/c1-4-9-16-10-5-6-11-17(16)19-13-8-7-12-18-14-15(2)3/h4-6,9-11,15,18H,7-8,12-14H2,1-3H3
InChIKeyOGFPEUGBPQJYGL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.12
Rot. Bonds9

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

N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine (PubChem CID 76943582) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
PubChem CID76943582
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNCC(C)C
InChIInChI=1S/C17H27NO/c1-4-9-16-10-5-6-11-17(16)19-13-8-7-12-18-14-15(2)3/h4-6,9-11,15,18H,7-8,12-14H2,1-3H3
InChIKeyOGFPEUGBPQJYGL-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
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-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76997566
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76946631
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
CID 76997630
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
2-methyl-N-[[5-[2-[(E)-prop-1-enyl]phenoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80619506
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine (CID 76943582) is N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine is CC=Cc1ccccc1OCCCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
The InChIKey is OGFPEUGBPQJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-9-16-10-5-6-11-17(16)19-13-8-7-12-18-14-15(2)3/h4-6,9-11,15,18H,7-8,12-14H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine is sourced from PubChem (CID 76943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).