N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine

C14H21NO — CID 115638914

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
SMILESCC(NCCOCC1CC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(14-5-3-2-4-6-14)15-9-10-16-11-13-7-8-13/h2-6,12-13,15H,7-11H2,1H3
InChIKeyIZLIPFZMXBMWQV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine

N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine (PubChem CID 115638914) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
PubChem CID115638914
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
SMILESCC(NCCOCC1CC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(14-5-3-2-4-6-14)15-9-10-16-11-13-7-8-13/h2-6,12-13,15H,7-11H2,1H3
InChIKeyIZLIPFZMXBMWQV-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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

3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 103782827
3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43206746
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545832
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine (CID 115638914) is N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine is CC(NCCOCC1CC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine?
The InChIKey is IZLIPFZMXBMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(14-5-3-2-4-6-14)15-9-10-16-11-13-7-8-13/h2-6,12-13,15H,7-11H2,1H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine?
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine is sourced from PubChem (CID 115638914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).