N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine

C18H32N2 — CID 105346595

IUPACN-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1ccc(CCNC(C)C)cc1
InChIInChI=1S/C18H32N2/c1-5-7-14-20(6-2)15-18-10-8-17(9-11-18)12-13-19-16(3)4/h8-11,16,19H,5-7,12-15H2,1-4H3
InChIKeyBJYRRUHVNJMDOV-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds10

About N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine

N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine (PubChem CID 105346595) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
PubChem CID105346595
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1ccc(CCNC(C)C)cc1
InChIInChI=1S/C18H32N2/c1-5-7-14-20(6-2)15-18-10-8-17(9-11-18)12-13-19-16(3)4/h8-11,16,19H,5-7,12-15H2,1-4H3
InChIKeyBJYRRUHVNJMDOV-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986042
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 55133810
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986139
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N'-benzyl-N'-ethyl-N-heptan-2-ylethane-1,2-diamine
CID 63502856
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine (CID 105346595) is N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine is CCCCN(CC)Cc1ccc(CCNC(C)C)cc1.
What is the InChIKey of N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine?
The InChIKey is BJYRRUHVNJMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-7-14-20(6-2)15-18-10-8-17(9-11-18)12-13-19-16(3)4/h8-11,16,19H,5-7,12-15H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine?
N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 105346595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).