N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine

C16H27NO — CID 43694615

IUPACN-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
SMILESCCCCCNC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-6-7-11-17-14(4)15-9-8-10-16(12-15)18-13(2)3/h8-10,12-14,17H,5-7,11H2,1-4H3
InChIKeyKWQPWWCXQRTJCI-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.31
Rot. Bonds8

About N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine

N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine (PubChem CID 43694615) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
PubChem CID43694615
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
SMILESCCCCCNC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-6-7-11-17-14(4)15-9-8-10-16(12-15)18-13(2)3/h8-10,12-14,17H,5-7,11H2,1-4H3
InChIKeyKWQPWWCXQRTJCI-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.31
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-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine?
The IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine (CID 43694615) is N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine?
The canonical SMILES for N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine is CCCCCNC(C)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine?
The InChIKey is KWQPWWCXQRTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-11-17-14(4)15-9-8-10-16(12-15)18-13(2)3/h8-10,12-14,17H,5-7,11H2,1-4H3.
What are the key properties of N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine?
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine is sourced from PubChem (CID 43694615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).