N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine

C17H27NO — CID 106204944

IUPACN-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(OCCC1CC1)c1ccccc1C
InChIInChI=1S/C17H27NO/c1-3-11-18-13-17(19-12-10-15-8-9-15)16-7-5-4-6-14(16)2/h4-7,15,17-18H,3,8-13H2,1-2H3
InChIKeyONRCMZCCQYJYEA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds9

About N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 106204944) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID106204944
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(OCCC1CC1)c1ccccc1C
InChIInChI=1S/C17H27NO/c1-3-11-18-13-17(19-12-10-15-8-9-15)16-7-5-4-6-14(16)2/h4-7,15,17-18H,3,8-13H2,1-2H3
InChIKeyONRCMZCCQYJYEA-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
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

2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
CID 102607807
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
CID 106667087
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82957812
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 106204944) is N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNCC(OCCC1CC1)c1ccccc1C.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ONRCMZCCQYJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-18-13-17(19-12-10-15-8-9-15)16-7-5-4-6-14(16)2/h4-7,15,17-18H,3,8-13H2,1-2H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106204944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).