4-phenylmethoxy-N-prop-2-enylbutan-2-amine

C14H21NO — CID 130948211

IUPAC4-phenylmethoxy-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)CCOCc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-10-15-13(2)9-11-16-12-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3
InChIKeyUPQZGRUCFJGPCT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds8

About 4-phenylmethoxy-N-prop-2-enylbutan-2-amine

4-phenylmethoxy-N-prop-2-enylbutan-2-amine (PubChem CID 130948211) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-phenylmethoxy-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name4-phenylmethoxy-N-prop-2-enylbutan-2-amine
PubChem CID130948211
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-phenylmethoxy-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)CCOCc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-10-15-13(2)9-11-16-12-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3
InChIKeyUPQZGRUCFJGPCT-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
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

(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
4-methyl-6-phenylmethoxyhex-1-en-3-one
CID 175450256
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
CID 131162694
3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine
CID 131045396
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoic acid
CID 67833212
prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate
CID 54266067
(2R)-N-benzylhex-5-en-2-amine
CID 97107585

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-prop-2-enylbutan-2-amine?
The IUPAC name of 4-phenylmethoxy-N-prop-2-enylbutan-2-amine (CID 130948211) is 4-phenylmethoxy-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 4-phenylmethoxy-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 4-phenylmethoxy-N-prop-2-enylbutan-2-amine is C=CCNC(C)CCOCc1ccccc1.
What is the InChIKey of 4-phenylmethoxy-N-prop-2-enylbutan-2-amine?
The InChIKey is UPQZGRUCFJGPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-10-15-13(2)9-11-16-12-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3.
What are the key properties of 4-phenylmethoxy-N-prop-2-enylbutan-2-amine?
4-phenylmethoxy-N-prop-2-enylbutan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 130948211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).