N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine

C15H23NO — CID 130537187

IUPACN,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOCc1ccccc1)CNC
InChIInChI=1S/C15H23NO/c1-4-15(2,13-16-3)10-11-17-12-14-8-6-5-7-9-14/h4-9,16H,1,10-13H2,2-3H3
InChIKeyHRTLSSHMONMTAQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.01
Rot. Bonds8

About N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine

N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine (PubChem CID 130537187) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
PubChem CID130537187
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOCc1ccccc1)CNC
InChIInChI=1S/C15H23NO/c1-4-15(2,13-16-3)10-11-17-12-14-8-6-5-7-9-14/h4-9,16H,1,10-13H2,2-3H3
InChIKeyHRTLSSHMONMTAQ-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
2-[2-[(4-bromophenyl)methoxy]ethyl]-2-methylbut-3-en-1-ol
CID 122228540
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
3-methyl-18-phenylmethoxyoctadec-1-en-3-ol
CID 15606204
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
2-methyl-3-oxo-2-(2-phenylmethoxyethyl)butanenitrile
CID 130537416
2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane
CID 139632113
2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130536878
2-methyl-N-phenylmethoxybut-3-en-2-amine
CID 101441641
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine (CID 130537187) is N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine is C=CC(C)(CCOCc1ccccc1)CNC.
What is the InChIKey of N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine?
The InChIKey is HRTLSSHMONMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-15(2,13-16-3)10-11-17-12-14-8-6-5-7-9-14/h4-9,16H,1,10-13H2,2-3H3.
What are the key properties of N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine?
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine is sourced from PubChem (CID 130537187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).