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

C14H21NO — CID 76943530

IUPACN-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNC
InChIInChI=1S/C14H21NO/c1-3-8-13-9-4-5-10-14(13)16-12-7-6-11-15-2/h3-5,8-10,15H,6-7,11-12H2,1-2H3
InChIKeyRMGYNPFNOLCLIB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds7

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

N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine (PubChem CID 76943530) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
PubChem CID76943530
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNC
InChIInChI=1S/C14H21NO/c1-3-8-13-9-4-5-10-14(13)16-12-7-6-11-15-2/h3-5,8-10,15H,6-7,11-12H2,1-2H3
InChIKeyRMGYNPFNOLCLIB-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
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-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76946631
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
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
4-chloro-N-[2-(2-prop-1-enylphenoxy)ethyl]aniline
CID 76997623
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine?
The IUPAC name of N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine (CID 76943530) is N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine.
What is the SMILES notation for N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine?
The canonical SMILES for N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine is CC=Cc1ccccc1OCCCCNC.
What is the InChIKey of N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine?
The InChIKey is RMGYNPFNOLCLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-8-13-9-4-5-10-14(13)16-12-7-6-11-15-2/h3-5,8-10,15H,6-7,11-12H2,1-2H3.
What are the key properties of N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine?
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine is sourced from PubChem (CID 76943530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).