N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline

C14H24N2 — CID 79677847

IUPACN-butan-2-yl-3-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1cccc(NC(C)CC)c1
InChIInChI=1S/C14H24N2/c1-5-11(3)16-14-9-7-8-13(10-14)12(4)15-6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKeyAWFNQDJDZZNGCI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.57
Rot. Bonds6

About N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline

N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline (PubChem CID 79677847) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(ethylamino)ethyl]aniline
PubChem CID79677847
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butan-2-yl-3-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1cccc(NC(C)CC)c1
InChIInChI=1S/C14H24N2/c1-5-11(3)16-14-9-7-8-13(10-14)12(4)15-6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKeyAWFNQDJDZZNGCI-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine
CID 70460627
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline?
The IUPAC name of N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline (CID 79677847) is N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline is CCNC(C)c1cccc(NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline?
The InChIKey is AWFNQDJDZZNGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(3)16-14-9-7-8-13(10-14)12(4)15-6-2/h7-12,15-16H,5-6H2,1-4H3.
What are the key properties of N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline?
N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 79677847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).