N-benzyl-2-(2-cyclopropylethoxy)ethanamine

C14H21NO — CID 106206256

IUPACN-benzyl-2-(2-cyclopropylethoxy)ethanamine
SMILESc1ccc(CNCCOCCC2CC2)cc1
InChIInChI=1S/C14H21NO/c1-2-4-14(5-3-1)12-15-9-11-16-10-8-13-6-7-13/h1-5,13,15H,6-12H2
InChIKeyCXKCHVTYLKLXBV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds8

About N-benzyl-2-(2-cyclopropylethoxy)ethanamine

N-benzyl-2-(2-cyclopropylethoxy)ethanamine (PubChem CID 106206256) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-2-(2-cyclopropylethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-cyclopropylethoxy)ethanamine
PubChem CID106206256
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-2-(2-cyclopropylethoxy)ethanamine
SMILESc1ccc(CNCCOCCC2CC2)cc1
InChIInChI=1S/C14H21NO/c1-2-4-14(5-3-1)12-15-9-11-16-10-8-13-6-7-13/h1-5,13,15H,6-12H2
InChIKeyCXKCHVTYLKLXBV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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

N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-cyclopropylethoxy)ethanamine?
The IUPAC name of N-benzyl-2-(2-cyclopropylethoxy)ethanamine (CID 106206256) is N-benzyl-2-(2-cyclopropylethoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(2-cyclopropylethoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(2-cyclopropylethoxy)ethanamine is c1ccc(CNCCOCCC2CC2)cc1.
What is the InChIKey of N-benzyl-2-(2-cyclopropylethoxy)ethanamine?
The InChIKey is CXKCHVTYLKLXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-4-14(5-3-1)12-15-9-11-16-10-8-13-6-7-13/h1-5,13,15H,6-12H2.
What are the key properties of N-benzyl-2-(2-cyclopropylethoxy)ethanamine?
N-benzyl-2-(2-cyclopropylethoxy)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-cyclopropylethoxy)ethanamine is sourced from PubChem (CID 106206256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).