3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine

C16H25NO — CID 106930862

IUPAC3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(COCC1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-3-17-10-16(12-18-11-14-6-7-14)15-8-4-13(2)5-9-15/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyWPQFLTUOPFAMFQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine

3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 106930862) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
PubChem CID106930862
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(COCC1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-3-17-10-16(12-18-11-14-6-7-14)15-8-4-13(2)5-9-15/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyWPQFLTUOPFAMFQ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922
2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 106930589
1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931382
N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79436142
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine (CID 106930862) is 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine is CCNCC(COCC1CC1)c1ccc(C)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is WPQFLTUOPFAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-17-10-16(12-18-11-14-6-7-14)15-8-4-13(2)5-9-15/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 106930862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).