N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine

C15H19NO — CID 114097887

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine
SMILESC(#Cc1ccccc1)CNCCOCC1CC1
InChIInChI=1S/C15H19NO/c1-2-5-14(6-3-1)7-4-10-16-11-12-17-13-15-8-9-15/h1-3,5-6,15-16H,8-13H2
InChIKeyQAZDOFMMVCIULP-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine

N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine (PubChem CID 114097887) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine
PubChem CID114097887
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine
SMILESC(#Cc1ccccc1)CNCCOCC1CC1
InChIInChI=1S/C15H19NO/c1-2-5-14(6-3-1)7-4-10-16-11-12-17-13-15-8-9-15/h1-3,5-6,15-16H,8-13H2
InChIKeyQAZDOFMMVCIULP-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62338995
4-[(3-phenylprop-2-ynylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532149
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
N-[2-(oxolan-3-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 114130521
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 115641653
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111759865
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111759864
N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 114097893
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine (CID 114097887) is N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine is C(#Cc1ccccc1)CNCCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine?
The InChIKey is QAZDOFMMVCIULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-5-14(6-3-1)7-4-10-16-11-12-17-13-15-8-9-15/h1-3,5-6,15-16H,8-13H2.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine?
N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 114097887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).