N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine

C14H23NO — CID 115705702

IUPACN-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
SMILESCCOc1cccc(C(C)NC(C)CC)c1
InChIInChI=1S/C14H23NO/c1-5-11(3)15-12(4)13-8-7-9-14(10-13)16-6-2/h7-12,15H,5-6H2,1-4H3
InChIKeyPBQOJAKGBUAIAD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine

N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine (PubChem CID 115705702) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
PubChem CID115705702
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
SMILESCCOc1cccc(C(C)NC(C)CC)c1
InChIInChI=1S/C14H23NO/c1-5-11(3)15-12(4)13-8-7-9-14(10-13)16-6-2/h7-12,15H,5-6H2,1-4H3
InChIKeyPBQOJAKGBUAIAD-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(3-propoxyphenyl)ethyl]butan-2-amine
CID 100557187
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
CID 132649569
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536135
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
tert-butyl-[1-(3-ethoxyphenyl)ethylamino]-oxidosulfanium
CID 175583059
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine (CID 115705702) is N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine is CCOc1cccc(C(C)NC(C)CC)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine?
The InChIKey is PBQOJAKGBUAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)15-12(4)13-8-7-9-14(10-13)16-6-2/h7-12,15H,5-6H2,1-4H3.
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine?
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 115705702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).