N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

C18H29NO — CID 116722720

IUPACN-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(OC)C1CC1
InChIInChI=1S/C18H29NO/c1-5-12-19-17(18(20-4)16-10-11-16)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-19H,5,10-12H2,1-4H3
InChIKeyIVJHOQGISMXWSG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds8

About N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 116722720) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID116722720
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(OC)C1CC1
InChIInChI=1S/C18H29NO/c1-5-12-19-17(18(20-4)16-10-11-16)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-19H,5,10-12H2,1-4H3
InChIKeyIVJHOQGISMXWSG-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105272935
N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
CID 116722688
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
CID 116722846

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 116722720) is N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is IVJHOQGISMXWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-12-19-17(18(20-4)16-10-11-16)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-19H,5,10-12H2,1-4H3.
What are the key properties of N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116722720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).