N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine

C14H24N2O — CID 65384964

IUPACN-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)NC(C)CC)cc1
InChIInChI=1S/C14H24N2O/c1-4-11(3)16-14(10-15)12-6-8-13(9-7-12)17-5-2/h6-9,11,14,16H,4-5,10,15H2,1-3H3
InChIKeyMNAJVWDGFSBESK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.47
Rot. Bonds7

About N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine

N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 65384964) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
PubChem CID65384964
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)NC(C)CC)cc1
InChIInChI=1S/C14H24N2O/c1-4-11(3)16-14(10-15)12-6-8-13(9-7-12)17-5-2/h6-9,11,14,16H,4-5,10,15H2,1-3H3
InChIKeyMNAJVWDGFSBESK-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
N-butan-2-yl-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115524378
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
N-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65383483
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 83177620
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine (CID 65384964) is N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine is CCOc1ccc(C(CN)NC(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is MNAJVWDGFSBESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-11(3)16-14(10-15)12-6-8-13(9-7-12)17-5-2/h6-9,11,14,16H,4-5,10,15H2,1-3H3.
What are the key properties of N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine?
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).