N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine

C21H25NO — CID 11185890

IUPACN-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-15-22(16-4-2)21(20-13-9-6-10-14-20)18-23-17-19-11-7-5-8-12-19/h3-14,21H,1-2,15-18H2/t21-/m0/s1
InChIKeyHTLWRWXINVCLAP-NRFANRHFSA-N
MW307.44 g/mol
LogP4.62
Rot. Bonds10

About N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine

N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 11185890) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID11185890
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-15-22(16-4-2)21(20-13-9-6-10-14-20)18-23-17-19-11-7-5-8-12-19/h3-14,21H,1-2,15-18H2/t21-/m0/s1
InChIKeyHTLWRWXINVCLAP-NRFANRHFSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]hydroxylamine
CID 134926219
N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine
CID 14642401
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187
2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
CID 10880992
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene
CID 174583754
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine (CID 11185890) is N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)[C@@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is HTLWRWXINVCLAP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-15-22(16-4-2)21(20-13-9-6-10-14-20)18-23-17-19-11-7-5-8-12-19/h3-14,21H,1-2,15-18H2/t21-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 11185890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).